The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
The branch of science that deals with the geometric description of crystals and their internal arrangement. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain).
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Penetrating, high-energy electromagnetic radiation emitted from atomic nuclei during NUCLEAR DECAY. The range of wavelengths of emitted radiation is between 0.1 - 100 pm which overlaps the shorter, more energetic hard X-RAYS wavelengths. The distinction between gamma rays and X-rays is based on their radiation source.
The formation of crystalline substances from solutions or melts. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Electron microscopy involving rapid freezing of the samples. The imaging of frozen-hydrated molecules and organelles permits the best possible resolution closest to the living state, free of chemical fixatives or stains.
Examination of any part of the body for diagnostic purposes by means of X-RAYS or GAMMA RAYS, recording the image on a sensitized surface (such as photographic film).
Devices for accelerating protons or electrons in closed orbits where the accelerating voltage and magnetic field strength varies (the accelerating voltage is held constant for electrons) in order to keep the orbit radius constant.
The parts of a macromolecule that directly participate in its specific combination with another molecule.
The level of protein structure in which combinations of secondary protein structures (alpha helices, beta sheets, loop regions, and motifs) pack together to form folded shapes called domains. Disulfide bridges between cysteines in two different parts of the polypeptide chain along with other interactions between the chains play a role in the formation and stabilization of tertiary structure. Small proteins usually consist of only one domain but larger proteins may contain a number of domains connected by segments of polypeptide chain which lack regular secondary structure.
The characteristic three-dimensional shape of a molecule.
The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.
Stable elementary particles having the smallest known negative charge, present in all elements; also called negatrons. Positively charged electrons are called positrons. The numbers, energies and arrangement of electrons around atomic nuclei determine the chemical identities of elements. Beams of electrons are called CATHODE RAYS.
Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.
The order of amino acids as they occur in a polypeptide chain. This is referred to as the primary structure of proteins. It is of fundamental importance in determining PROTEIN CONFORMATION.
The level of protein structure in which regular hydrogen-bond interactions within contiguous stretches of polypeptide chain give rise to alpha helices, beta strands (which align to form beta sheets) or other types of coils. This is the first folding level of protein conformation.
NMR spectroscopy on small- to medium-size biological macromolecules. This is often used for structural investigation of proteins and nucleic acids, and often involves more than one isotope.
A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds.
Identification and measurement of ELEMENTS and their location based on the fact that X-RAYS emitted by an element excited by an electron beam have a wavelength characteristic of that element and an intensity related to its concentration. It is performed with an electron microscope fitted with an x-ray spectrometer, in scanning or transmission mode.
The process in which substances, either endogenous or exogenous, bind to proteins, peptides, enzymes, protein precursors, or allied compounds. Specific protein-binding measures are often used as assays in diagnostic assessments.
The scattering of NEUTRONS by matter, especially crystals, with accompanying variation in intensity due to interference effects. It is useful in CRYSTALLOGRAPHY and POWDER DIFFRACTION.
A subclass of cartilaginous fish comprising the SHARKS; rays; skates (SKATES (FISH);), and sawfish. Elasmobranchs are typically predaceous, relying more on smell (the olfactory capsules are relatively large) than sight (the eyes are relatively small) for obtaining their food.
A diffuse parenchymal lung disease caused by inhalation of dust and by tissue reaction to their presence. These inorganic, organic, particulate, or vaporized matters usually are inhaled by workers in their occupational environment, leading to the various forms (ASBESTOSIS; BYSSINOSIS; and others). Similar air pollution can also have deleterious effects on the general population.
Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING).
The common name for all members of the Rajidae family. Skates and rays are members of the same order (Rajiformes). Skates have weak electric organs.
The region of an enzyme that interacts with its substrate to cause the enzymatic reaction.
Penetrating electromagnetic radiation emitted when the inner orbital electrons of an atom are excited and release radiant energy. X-ray wavelengths range from 1 pm to 10 nm. Hard X-rays are the higher energy, shorter wavelength X-rays. Soft x-rays or Grenz rays are less energetic and longer in wavelength. The short wavelength end of the X-ray spectrum overlaps the GAMMA RAYS wavelength range. The distinction between gamma rays and X-rays is based on their radiation source.
The characteristic 3-dimensional shape and arrangement of multimeric proteins (aggregates of more than one polypeptide chain).
Light absorbing proteins and protein prosthetic groups found in certain microorganisms. Some microbial photoreceptors initiate specific chemical reactions which signal a change in the environment, while others generate energy by pumping specific ions across a cellular membrane.
A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)
Scattering of a beam of electromagnetic or acoustic RADIATION, or particles, at small angles by particles or cavities whose dimensions are many times as large as the wavelength of the radiation or the de Broglie wavelength of the scattered particles. Also know as low angle scattering. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed) Small angle scattering (SAS) techniques, small angle neutron (SANS), X-ray (SAXS), and light (SALS, or just LS) scattering, are used to characterize objects on a nanoscale.
Linear POLYPEPTIDES that are synthesized on RIBOSOMES and may be further modified, crosslinked, cleaved, or assembled into complex proteins with several subunits. The specific sequence of AMINO ACIDS determines the shape the polypeptide will take, during PROTEIN FOLDING, and the function of the protein.
The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.
Neutrons, the energy of which exceeds some arbitrary level, usually around one million electron volts.
The facilitation of a chemical reaction by material (catalyst) that is not consumed by the reaction.
The technique of washing tissue specimens with a concentrated solution of a heavy metal salt and letting it dry. The specimen will be covered with a very thin layer of the metal salt, being excluded in areas where an adsorbed macromolecule is present. The macromolecules allow electrons from the beam of an electron microscope to pass much more readily than the heavy metal; thus, a reversed or negative image of the molecule is created.
Hospital department which is responsible for the administration and provision of x-ray diagnostic and therapeutic services.
Electrically neutral elementary particles found in all atomic nuclei except light hydrogen; the mass is equal to that of the proton and electron combined and they are unstable when isolated from the nucleus, undergoing beta decay. Slow, thermal, epithermal, and fast neutrons refer to the energy levels with which the neutrons are ejected from heavier nuclei during their decay.
The process by which two molecules of the same chemical composition form a condensation product or polymer.
The rate dynamics in chemical or physical systems.
Any detectable and heritable change in the genetic material that causes a change in the GENOTYPE and which is transmitted to daughter cells and to succeeding generations.
Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.
The joint that is formed by the distal end of the RADIUS, the articular disc of the distal radioulnar joint, and the proximal row of CARPAL BONES; (SCAPHOID BONE; LUNATE BONE; triquetral bone).
Proteins found in any species of bacterium.
Genetically engineered MUTAGENESIS at a specific site in the DNA molecule that introduces a base substitution, or an insertion or deletion.
A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC
The effects of ionizing and nonionizing radiation upon living organisms, organs and tissues, and their constituents, and upon physiologic processes. It includes the effect of irradiation on food, drugs, and chemicals.
A clear, odorless, tasteless liquid that is essential for most animal and plant life and is an excellent solvent for many substances. The chemical formula is hydrogen oxide (H2O). (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
The phenomenon whereby compounds whose molecules have the same number and kind of atoms and the same atomic arrangement, but differ in their spatial relationships. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
That portion of the electromagnetic spectrum immediately below the visible range and extending into the x-ray frequencies. The longer wavelengths (near-UV or biotic or vital rays) are necessary for the endogenous synthesis of vitamin D and are also called antirachitic rays; the shorter, ionizing wavelengths (far-UV or abiotic or extravital rays) are viricidal, bactericidal, mutagenic, and carcinogenic and are used as disinfectants.
The assembly of the QUATERNARY PROTEIN STRUCTURE of multimeric proteins (MULTIPROTEIN COMPLEXES) from their composite PROTEIN SUBUNITS.
The degree of similarity between sequences of amino acids. This information is useful for the analyzing genetic relatedness of proteins and species.
Processes involved in the formation of TERTIARY PROTEIN STRUCTURE.
A computer simulation developed to study the motion of molecules over a period of time.
The accumulation of an electric charge on a object
Analytical technique for studying substances present at enzyme concentrations in single cells, in situ, by measuring light absorption. Light from a tungsten strip lamp or xenon arc dispersed by a grating monochromator illuminates the optical system of a microscope. The absorbance of light is measured (in nanometers) by comparing the difference between the image of the sample and a reference image.
Any of the numerous types of clay which contain varying proportions of Al2O3 and SiO2. They are made synthetically by heating aluminum fluoride at 1000-2000 degrees C with silica and water vapor. (From Hawley's Condensed Chemical Dictionary, 11th ed)
Membranous appendage of fish and other aquatic organisms used for locomotion or balance.
The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include pharmacokinetics, dosage analysis, or drug administration analysis.
The region of the HAND between the WRIST and the FINGERS.
A rigorously mathematical analysis of energy relationships (heat, work, temperature, and equilibrium). It describes systems whose states are determined by thermal parameters, such as temperature, in addition to mechanical and electromagnetic parameters. (From Hawley's Condensed Chemical Dictionary, 12th ed)
A species of gram-negative, facultatively anaerobic, rod-shaped bacteria (GRAM-NEGATIVE FACULTATIVELY ANAEROBIC RODS) commonly found in the lower part of the intestine of warm-blooded animals. It is usually nonpathogenic, but some strains are known to produce DIARRHEA and pyogenic infections. Pathogenic strains (virotypes) are classified by their specific pathogenic mechanisms such as toxins (ENTEROTOXIGENIC ESCHERICHIA COLI), etc.
The articulation between a metacarpal bone and a phalanx.
The amount of radiation energy that is deposited in a unit mass of material, such as tissues of plants or animal. In RADIOTHERAPY, radiation dosage is expressed in gray units (Gy). In RADIOLOGIC HEALTH, the dosage is expressed by the product of absorbed dose (Gy) and quality factor (a function of linear energy transfer), and is called radiation dose equivalent in sievert units (Sv).
The electronic transmission of radiological images from one location to another for the purposes of interpretation and/or consultation. Users in different locations may simultaneously view images with greater access to secondary consultations and improved continuing education. (From American College of Radiology, ACR Standard for Teleradiology, 1994, p3)
The spectrometric analysis of fluorescent X-RAYS, i.e. X-rays emitted after bombarding matter with high energy particles such as PROTONS; ELECTRONS; or higher energy X-rays. Identification of ELEMENTS by this technique is based on the specific type of X-rays that are emitted which are characteristic of the specific elements in the material being analyzed. The characteristic X-rays are distinguished and/or quantified by either wavelength dispersive or energy dispersive methods.
The homogeneous mixtures formed by the mixing of a solid, liquid, or gaseous substance (solute) with a liquid (the solvent), from which the dissolved substances can be recovered by physical processes. (From Grant & Hackh's Chemical Dictionary, 5th ed)
Compounds and molecular complexes that consist of very large numbers of atoms and are generally over 500 kDa in size. In biological systems macromolecular substances usually can be visualized using ELECTRON MICROSCOPY and are distinguished from ORGANELLES by the lack of a membrane structure.
The female sex chromosome, being the differential sex chromosome carried by half the male gametes and all female gametes in human and other male-heterogametic species.
The relationship between the dose of administered radiation and the response of the organism or tissue to the radiation.
A vacuum tube equipped with an electron emitting CATHODE and a fluorescent screen which emits visible light when excited by the cathode ray. Cathode ray tubes are used as imaging devises for TELEVISIONS; COMPUTER TERMINALS; TEXT TELECOMMUNICATION DEVICES; oscilloscopes; and other DATA DISPLAY devices.
Proteins prepared by recombinant DNA technology.
Controlled operations of analytic or diagnostic processes, or systems by mechanical or electronic devices.
The degree of 3-dimensional shape similarity between proteins. It can be an indication of distant AMINO ACID SEQUENCE HOMOLOGY and used for rational DRUG DESIGN.
Data processing largely performed by automatic means.
A characteristic feature of enzyme activity in relation to the kind of substrate on which the enzyme or catalytic molecule reacts.
The spatial arrangement of the atoms of a nucleic acid or polynucleotide that results in its characteristic 3-dimensional shape.
A conjugated protein which is the oxygen-transporting pigment of muscle. It is made up of one globin polypeptide chain and one heme group.
Computer-based representation of physical systems and phenomena such as chemical processes.
Unstable isotopes of cadmium that decay or disintegrate emitting radiation. Cd atoms with atomic weights 103-105, 107, 109, 115, and 117-119 are radioactive cadmium isotopes.
A cytosolic carbonic anhydrase isoenzyme found widely distributed in cells of almost all tissues. Deficiencies of carbonic anhydrase II produce a syndrome characterized by OSTEOPETROSIS, renal tubular acidosis (ACIDOSIS, RENAL TUBULAR) and cerebral calcification. EC 4.2.1.-
The arrangement of two or more amino acid or base sequences from an organism or organisms in such a way as to align areas of the sequences sharing common properties. The degree of relatedness or homology between the sequences is predicted computationally or statistically based on weights assigned to the elements aligned between the sequences. This in turn can serve as a potential indicator of the genetic relatedness between the organisms.
Individuals responsible for fabrication of dental appliances.
Diagnostic aid in pancreas function determination.
The naturally occurring or experimentally induced replacement of one or more AMINO ACIDS in a protein with another. If a functionally equivalent amino acid is substituted, the protein may retain wild-type activity. Substitution may also diminish, enhance, or eliminate protein function. Experimentally induced substitution is often used to study enzyme activities and binding site properties.
Microscopy using an electron beam, instead of light, to visualize the sample, thereby allowing much greater magnification. The interactions of ELECTRONS with specimens are used to provide information about the fine structure of that specimen. In TRANSMISSION ELECTRON MICROSCOPY the reactions of the electrons that are transmitted through the specimen are imaged. In SCANNING ELECTRON MICROSCOPY an electron beam falls at a non-normal angle on the specimen and the image is derived from the reactions occurring above the plane of the specimen.
A subdiscipline of genetics that studies RADIATION EFFECTS on the components and processes of biological inheritance.
The measurement of the quantity of heat involved in various processes, such as chemical reactions, changes of state, and formations of solutions, or in the determination of the heat capacities of substances. The fundamental unit of measurement is the joule or the calorie (4.184 joules). (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
High-energy radiation or particles from extraterrestrial space that strike the earth, its atmosphere, or spacecraft and may create secondary radiation as a result of collisions with the atmosphere or spacecraft.
A form of pneumoconiosis caused by inhalation of asbestos fibers which elicit potent inflammatory responses in the parenchyma of the lung. The disease is characterized by interstitial fibrosis of the lung, varying from scattered sites to extensive scarring of the alveolar interstitium.
The thin serous membrane enveloping the lungs (LUNG) and lining the THORACIC CAVITY. Pleura consist of two layers, the inner visceral pleura lying next to the pulmonary parenchyma and the outer parietal pleura. Between the two layers is the PLEURAL CAVITY which contains a thin film of liquid.
Sequential operating programs and data which instruct the functioning of a digital computer.
Procedures by which protein structure and function are changed or created in vitro by altering existing or synthesizing new structural genes that direct the synthesis of proteins with sought-after properties. Such procedures may include the design of MOLECULAR MODELS of proteins using COMPUTER GRAPHICS or other molecular modeling techniques; site-specific mutagenesis (MUTAGENESIS, SITE-SPECIFIC) of existing genes; and DIRECTED MOLECULAR EVOLUTION techniques to create new genes.
Quartz (SiO2). A glassy or crystalline form of silicon dioxide. Many colored varieties are semiprecious stones. (From Grant & Hackh's Chemical Dictionary, 5th ed)
Hospital department responsible for the administration and provision of immediate medical or surgical care to the emergency patient.
Analysis based on the mathematical function first formulated by Jean-Baptiste-Joseph Fourier in 1807. The function, known as the Fourier transform, describes the sinusoidal pattern of any fluctuating pattern in the physical world in terms of its amplitude and its phase. It has broad applications in biomedicine, e.g., analysis of the x-ray crystallography data pivotal in identifying the double helical nature of DNA and in analysis of other molecules, including viruses, and the modified back-projection algorithm universally used in computerized tomography imaging, etc. (From Segen, The Dictionary of Modern Medicine, 1992)
The thermodynamic interaction between a substance and WATER.
Large marine mammals of the order CETACEA. In the past, they were commercially valued for whale oil, for their flesh as human food and in ANIMAL FEED and FERTILIZERS, and for baleen. Today, there is a moratorium on most commercial whaling, as all species are either listed as endangered or threatened.
Diseases caused by factors involved in one's employment.
The largest of the TARSAL BONES which is situated at the lower and back part of the FOOT, forming the HEEL.
Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.
Asbestos. Fibrous incombustible mineral composed of magnesium and calcium silicates with or without other elements. It is relatively inert chemically and used in thermal insulation and fireproofing. Inhalation of dust causes asbestosis and later lung and gastrointestinal neoplasms.
Stable elementary particles having the smallest known positive charge, found in the nuclei of all elements. The proton mass is less than that of a neutron. A proton is the nucleus of the light hydrogen atom, i.e., the hydrogen ion.
The measurement of the amplitude of the components of a complex waveform throughout the frequency range of the waveform. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein.
The sequence of PURINES and PYRIMIDINES in nucleic acids and polynucleotides. It is also called nucleotide sequence.
An enzyme that catalyzes the conversion of urate and unidentified products. It is a copper protein. The initial products decompose to form allantoin. EC
The theory that the radiation and absorption of energy take place in definite quantities called quanta (E) which vary in size and are defined by the equation E=hv in which h is Planck's constant and v is the frequency of the radiation.
The measurement of radiation by photography, as in x-ray film and film badge, by Geiger-Mueller tube, and by SCINTILLATION COUNTING.
The property of objects that determines the direction of heat flow when they are placed in direct thermal contact. The temperature is the energy of microscopic motions (vibrational and translational) of the particles of atoms.
An analytical method used in determining the identity of a chemical based on its mass using mass analyzers/mass spectrometers.
Elements of limited time intervals, contributing to particular results or situations.
A technique applicable to the wide variety of substances which exhibit paramagnetism because of the magnetic moments of unpaired electrons. The spectra are useful for detection and identification, for determination of electron structure, for study of interactions between molecules, and for measurement of nuclear spins and moments. (From McGraw-Hill Encyclopedia of Science and Technology, 7th edition) Electron nuclear double resonance (ENDOR) spectroscopy is a variant of the technique which can give enhanced resolution. Electron spin resonance analysis can now be used in vivo, including imaging applications such as MAGNETIC RESONANCE IMAGING.
Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)
The ability of some cells or tissues to survive lethal doses of IONIZING RADIATION. Tolerance depends on the species, cell type, and physical and chemical variables, including RADIATION-PROTECTIVE AGENTS and RADIATION-SENSITIZING AGENTS.
The exposure to potentially harmful chemical, physical, or biological agents that occurs as a result of one's occupation.
A change from planar to elliptic polarization when an initially plane-polarized light wave traverses an optically active medium. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Incorrect diagnoses after clinical examination or technical diagnostic procedures.
Traumatic injuries involving the cranium and intracranial structures (i.e., BRAIN; CRANIAL NERVES; MENINGES; and other structures). Injuries may be classified by whether or not the skull is penetrated (i.e., penetrating vs. nonpenetrating) or whether there is an associated hemorrhage.
Inanimate objects that become enclosed in the body.
Neutral or negatively charged ligands bonded to metal cations or neutral atoms. The number of ligand atoms to which the metal center is directly bonded is the metal cation's coordination number, and this number is always greater than the regular valence or oxidation number of the metal. A coordination complex can be negative, neutral, or positively charged.
A rod-shaped bacterium surrounded by a sheath-like structure which protrudes balloon-like beyond the ends of the cell. It is thermophilic, with growth occurring at temperatures as high as 90 degrees C. It is isolated from geothermally heated marine sediments or hot springs. (From Bergey's Manual of Determinative Bacteriology, 9th ed)
A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.
A class of enzymes that catalyze the hydrolysis of one of the three ester bonds in a phosphotriester-containing compound.
The facilitation of biochemical reactions with the aid of naturally occurring catalysts such as ENZYMES.
Analysis of the intensity of Raman scattering of monochromatic light as a function of frequency of the scattered light.
A species of gram-negative, aerobic, rod-shaped bacteria found in hot springs of neutral to alkaline pH, as well as in hot-water heaters.
Proteins which are found in membranes including cellular and intracellular membranes. They consist of two types, peripheral and integral proteins. They include most membrane-associated enzymes, antigenic proteins, transport proteins, and drug, hormone, and lectin receptors.
Family of rod-shaped DNA viruses infecting ARCHAEA. They lack viral envelopes or lipids.
A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task.
Protein modules with conserved ligand-binding surfaces which mediate specific interaction functions in SIGNAL TRANSDUCTION PATHWAYS and the specific BINDING SITES of their cognate protein LIGANDS.
The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.
A deoxyribonucleotide polymer that is the primary genetic material of all cells. Eukaryotic and prokaryotic organisms normally contain DNA in a double-stranded state, yet several important biological processes transiently involve single-stranded regions. DNA, which consists of a polysugar-phosphate backbone possessing projections of purines (adenine and guanine) and pyrimidines (thymine and cytosine), forms a double helix that is held together by hydrogen bonds between these purines and pyrimidines (adenine to thymine and guanine to cytosine).
Outgrowth of immature bony processes or bone spurs (OSTEOPHYTE) from the VERTEBRAE, reflecting the presence of degenerative disease and calcification. It commonly occurs in cervical and lumbar SPONDYLOSIS.
Macromolecular complexes formed from the association of defined protein subunits.
A class of compounds of the type R-M, where a C atom is joined directly to any other element except H, C, N, O, F, Cl, Br, I, or At. (Grant & Hackh's Chemical Dictionary, 5th ed)
The science, art, or technology dealing with processes involved in the separation of metals from their ores, the technique of making or compounding the alloys, the techniques of working or heat-treating metals, and the mining of metals. It includes industrial metallurgy as well as metallurgical techniques employed in the preparation and working of metals used in dentistry, with special reference to orthodontic and prosthodontic appliances. (From Jablonski, Dictionary of Dentistry, 1992, p494)
Proteins obtained from ESCHERICHIA COLI.
A biosensing technique in which biomolecules capable of binding to specific analytes or ligands are first immobilized on one side of a metallic film. Light is then focused on the opposite side of the film to excite the surface plasmons, that is, the oscillations of free electrons propagating along the film's surface. The refractive index of light reflecting off this surface is measured. When the immobilized biomolecules are bound by their ligands, an alteration in surface plasmons on the opposite side of the film is created which is directly proportional to the change in bound, or adsorbed, mass. Binding is measured by changes in the refractive index. The technique is used to study biomolecular interactions, such as antigen-antibody binding.
The extent to which an enzyme retains its structural conformation or its activity when subjected to storage, isolation, and purification or various other physical or chemical manipulations, including proteolytic enzymes and heat.
An essential amino acid that is required for the production of HISTAMINE.
Heterodimers of FLAVONOIDS bound to LIGNANS.
Determination of the spectra of ultraviolet absorption by specific molecules in gases or liquids, for example Cl2, SO2, NO2, CS2, ozone, mercury vapor, and various unsaturated compounds. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Either of the pair of organs occupying the cavity of the thorax that effect the aeration of the blood.
The normality of a solution with respect to HYDROGEN ions; H+. It is related to acidity measurements in most cases by pH = log 1/2[1/(H+)], where (H+) is the hydrogen ion concentration in gram equivalents per liter of solution. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
Electropositive chemical elements characterized by ductility, malleability, luster, and conductance of heat and electricity. They can replace the hydrogen of an acid and form bases with hydroxyl radicals. (Grant & Hackh's Chemical Dictionary, 5th ed)
Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.
Proteins that form the CAPSID of VIRUSES.
Liquids transforming into solids by the removal of heat.
A research technique to measure solvent exposed regions of molecules that is used to provide insight about PROTEIN CONFORMATION.
Members of the class of compounds composed of AMINO ACIDS joined together by peptide bonds between adjacent amino acids into linear, branched or cyclical structures. OLIGOPEPTIDES are composed of approximately 2-12 amino acids. Polypeptides are composed of approximately 13 or more amino acids. PROTEINS are linear polypeptides that are normally synthesized on RIBOSOMES.
A potassium salt used to replenish ELECTROLYTES, for restoration of WATER-ELECTROLYTE BALANCE, as well as a urinary and systemic alkalizer, which can be administered orally or by intravenous infusion. Formerly, it was used in DIURETICS and EXPECTORANTS.
Single chains of amino acids that are the units of multimeric PROTEINS. Multimeric proteins can be composed of identical or non-identical subunits. One or more monomeric subunits may compose a protomer which itself is a subunit structure of a larger assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
An enzyme that catalyzes the endonucleolytic cleavage of pancreatic ribonucleic acids to 3'-phosphomono- and oligonucleotides ending in cytidylic or uridylic acids with 2',3'-cyclic phosphate intermediates. EC
Breaks in bones.
A halogen with the atomic symbol Br, atomic number 36, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.
The statistical reproducibility of measurements (often in a clinical context), including the testing of instrumentation or techniques to obtain reproducible results. The concept includes reproducibility of physiological measurements, which may be used to develop rules to assess probability or prognosis, or response to a stimulus; reproducibility of occurrence of a condition; and reproducibility of experimental results.
An element with atomic symbol O, atomic number 8, and atomic weight [15.99903; 15.99977]. It is the most abundant element on earth and essential for respiration.
A soluble cytochrome P-450 enzyme that catalyzes camphor monooxygenation in the presence of putidaredoxin, putidaredoxin reductase, and molecular oxygen. This enzyme, encoded by the CAMC gene also known as CYP101, has been crystallized from bacteria and the structure is well defined. Under anaerobic conditions, this enzyme reduces the polyhalogenated compounds bound at the camphor-binding site.
Proteins produced from GENES that have acquired MUTATIONS.
A chemical reaction in which an electron is transferred from one molecule to another. The electron-donating molecule is the reducing agent or reductant; the electron-accepting molecule is the oxidizing agent or oxidant. Reducing and oxidizing agents function as conjugate reductant-oxidant pairs or redox pairs (Lehninger, Principles of Biochemistry, 1982, p471).
A metallic element of atomic number 30 and atomic weight 65.38. It is a necessary trace element in the diet, forming an essential part of many enzymes, and playing an important role in protein synthesis and in cell division. Zinc deficiency is associated with ANEMIA, short stature, HYPOGONADISM, impaired WOUND HEALING, and geophagia. It is known by the symbol Zn.
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)
The first chemical element in the periodic table. It has the atomic symbol H, atomic number 1, and atomic weight [1.00784; 1.00811]. It exists, under normal conditions, as a colorless, odorless, tasteless, diatomic gas. Hydrogen ions are PROTONS. Besides the common H1 isotope, hydrogen exists as the stable isotope DEUTERIUM and the unstable, radioactive isotope TRITIUM.
Microscopy in which the object is examined directly by an electron beam scanning the specimen point-by-point. The image is constructed by detecting the products of specimen interactions that are projected above the plane of the sample, such as backscattered electrons. Although SCANNING TRANSMISSION ELECTRON MICROSCOPY also scans the specimen point by point with the electron beam, the image is constructed by detecting the electrons, or their interaction products that are transmitted through the sample plane, so that is a form of TRANSMISSION ELECTRON MICROSCOPY.
Observation of a population for a sufficient number of persons over a sufficient number of years to generate incidence or mortality rates subsequent to the selection of the study group.
Large collections of small molecules (molecular weight about 600 or less), of similar or diverse nature which are used for high-throughput screening analysis of the gene function, protein interaction, cellular processing, biochemical pathways, or other chemical interactions.
The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed)
The ability of a protein to retain its structural conformation or its activity when subjected to physical or chemical manipulations.
A polynucleotide consisting essentially of chains with a repeating backbone of phosphate and ribose units to which nitrogenous bases are attached. RNA is unique among biological macromolecules in that it can encode genetic information, serve as an abundant structural component of cells, and also possesses catalytic activity. (Rieger et al., Glossary of Genetics: Classical and Molecular, 5th ed)
A thermostable extracellular metalloendopeptidase containing four calcium ions. (Enzyme Nomenclature, 1992)
Pairing of purine and pyrimidine bases by HYDROGEN BONDING in double-stranded DNA or RNA.
The process of finding chemicals for potential therapeutic use.
The use of computers for designing and/or manufacturing of anything, including drugs, surgical procedures, orthotics, and prosthetics.
Topical antiseptic used mainly in wound dressings.
High molecular weight polymers containing a mixture of purine and pyrimidine nucleotides chained together by ribose or deoxyribose linkages.
Commonly observed structural components of proteins formed by simple combinations of adjacent secondary structures. A commonly observed structure may be composed of a CONSERVED SEQUENCE which can be represented by a CONSENSUS SEQUENCE.
A plant genus in the family PINACEAE, order Pinales, class Pinopsida, division Coniferophyta. They are coniferous evergreen trees with long, flat, spirally arranged needles that grow directly from the branch.
Domesticated bovine animals of the genus Bos, usually kept on a farm or ranch and used for the production of meat or dairy products or for heavy labor.
A heavy metal trace element with the atomic symbol Cu, atomic number 29, and atomic weight 63.55.
A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.
Spectrophotometry in the infrared region, usually for the purpose of chemical analysis through measurement of absorption spectra associated with rotational and vibrational energy levels of molecules. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.
Collective name for a group of external MECHANORECEPTORS and chemoreceptors manifesting as sensory structures in ARTHROPODS. They include cuticular projections (setae, hairs, bristles), pores, and slits.
A representation, generally small in scale, to show the structure, construction, or appearance of something. (From Random House Unabridged Dictionary, 2d ed)
A sequence of amino acids in a polypeptide or of nucleotides in DNA or RNA that is similar across multiple species. A known set of conserved sequences is represented by a CONSENSUS SEQUENCE. AMINO ACID MOTIFS are often composed of conserved sequences.
The distal part of the arm beyond the wrist in humans and primates, that includes the palm, fingers, and thumb.
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Rhodopsins found in the PURPLE MEMBRANE of halophilic archaea such as HALOBACTERIUM HALOBIUM. Bacteriorhodopsins function as an energy transducers, converting light energy into electrochemical energy via PROTON PUMPS.
Storage-stable glycoprotein blood coagulation factor that can be activated to factor Xa by both the intrinsic and extrinsic pathways. A deficiency of factor X, sometimes called Stuart-Prower factor deficiency, may lead to a systemic coagulation disorder.
Process of generating a genetic MUTATION. It may occur spontaneously or be induced by MUTAGENS.
A highly vascularized extra-embryonic membrane, formed by the fusion of the CHORION and the ALLANTOIS. It is mostly found in BIRDS and REPTILES. It serves as a model for studying tumor or cell biology, such as angiogenesis and TISSUE TRANSPLANTATION.
Enzymes that catalyze the interconversion of aldose and ketose compounds.
Earth or other matter in fine, dry particles. (Random House Unabridged Dictionary, 2d ed)
The modification of the reactivity of ENZYMES by the binding of effectors to sites (ALLOSTERIC SITES) on the enzymes other than the substrate BINDING SITES.
The study of the composition, chemical structures, and chemical reactions of living things.

Crystal structure of MHC class II-associated p41 Ii fragment bound to cathepsin L reveals the structural basis for differentiation between cathepsins L and S. (1/22435)

The lysosomal cysteine proteases cathepsins S and L play crucial roles in the degradation of the invariant chain during maturation of MHC class II molecules and antigen processing. The p41 form of the invariant chain includes a fragment which specifically inhibits cathepsin L but not S. The crystal structure of the p41 fragment, a homologue of the thyroglobulin type-1 domains, has been determined at 2.0 A resolution in complex with cathepsin L. The structure of the p41 fragment demonstrates a novel fold, consisting of two subdomains, each stabilized by disulfide bridges. The first subdomain is an alpha-helix-beta-strand arrangement, whereas the second subdomain has a predominantly beta-strand arrangement. The wedge shape and three-loop arrangement of the p41 fragment bound to the active site cleft of cathepsin L are reminiscent of the inhibitory edge of cystatins, thus demonstrating the first example of convergent evolution observed in cysteine protease inhibitors. However, the different fold of the p41 fragment results in additional contacts with the top of the R-domain of the enzymes, which defines the specificity-determining S2 and S1' substrate-binding sites. This enables inhibitors based on the thyroglobulin type-1 domain fold, in contrast to the rather non-selective cystatins, to exhibit specificity for their target enzymes.  (+info)

Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D. (2/22435)

The crystal structure of profactor D, determined at 2.1 A resolution with an Rfree and an R-factor of 25.1 and 20.4%, respectively, displays highly flexible or disordered conformation for five regions: N-22, 71-76, 143-152, 187-193 and 215-223. A comparison with the structure of its mature serine protease, complement factor D, revealed major conformational changes in the similar regions. Comparisons with the zymogen-active enzyme pairs of chymotrypsinogen, trypsinogen and prethrombin-2 showed a similar distribution of the flexible regions. However, profactor D is the most flexible of the four, and its mature enzyme displays inactive, self-inhibited active site conformation. Examination of the surface properties of the N-terminus-binding pocket indicates that Ile16 may play the initial positioning role for the N-terminus, and Leu17 probably also helps in inducing the required conformational changes. This process, perhaps shared by most chymotrypsinogen-like zymogens, is followed by a factor D-unique step, the re-orientation of an external Arg218 to an internal position for salt-bridging with Asp189, leading to the generation of the self-inhibited factor D.  (+info)

Crystal structure of an MHC class I presented glycopeptide that generates carbohydrate-specific CTL. (3/22435)

T cell receptor (TCR) recognition of nonpeptidic and modified peptide antigens has been recently uncovered but is still poorly understood. Immunization with an H-2Kb-restricted glycopeptide RGY8-6H-Gal2 generates a population of cytotoxic T cells that express both alpha/beta TCR, specific for glycopeptide, and gamma/delta TCR, specific for the disaccharide, even on glycolipids. The crystal structure of Kb/RGY8-6H-Gal2 now demonstrates that the peptide and H-2Kb structures are unaffected by the peptide glycosylation, but the central region of the putative TCR binding site is dominated by the extensive exposure of the tethered carbohydrate. These features of the Kb/RGY8-6H-Gal2 structure are consistent with the individual ligand binding preferences identified for the alpha/beta and gamma/delta TCRs and thus explain the generation of a carbohydrate-specific T cell response.  (+info)

Crystal structures of two H-2Db/glycopeptide complexes suggest a molecular basis for CTL cross-reactivity. (4/22435)

Two synthetic O-GlcNAc-bearing peptides that elicit H-2Db-restricted glycopeptide-specific cytotoxic T cells (CTL) have been shown to display nonreciprocal patterns of cross-reactivity. Here, we present the crystal structures of the H-2Db glycopeptide complexes to 2.85 A resolution or better. In both cases, the glycan is solvent exposed and available for direct recognition by the T cell receptor (TCR). We have modeled the complex formed between the MHC-glycopeptide complexes and their respective TCRs, showing that a single saccharide residue can be accommodated in the standard TCR-MHC geometry. The models also reveal a possible molecular basis for the observed cross-reactivity patterns of the CTL clones, which appear to be influenced by the length of the CDR3 loop and the nature of the immunizing ligand.  (+info)

Structure of CD94 reveals a novel C-type lectin fold: implications for the NK cell-associated CD94/NKG2 receptors. (5/22435)

The crystal structure of the extracellular domain of CD94, a component of the CD94/NKG2 NK cell receptor, has been determined to 2.6 A resolution, revealing a unique variation of the C-type lectin fold. In this variation, the second alpha helix, corresponding to residues 102-112, is replaced by a loop, the putative carbohydrate-binding site is significantly altered, and the Ca2+-binding site appears nonfunctional. This structure may serve as a prototype for other NK cell receptors such as Ly-49, NKR-P1, and CD69. The CD94 dimer observed in the crystal has an extensive hydrophobic interface that stabilizes the loop conformation of residues 102-112. The formation of this dimer reveals a putative ligand-binding region for HLA-E and suggests how NKG2 interacts with CD94.  (+info)

Melatonin biosynthesis: the structure of serotonin N-acetyltransferase at 2.5 A resolution suggests a catalytic mechanism. (6/22435)

Conversion of serotonin to N-acetylserotonin, the precursor of the circadian neurohormone melatonin, is catalyzed by serotonin N-acetyltransferase (AANAT) in a reaction requiring acetyl coenzyme A (AcCoA). AANAT is a globular protein consisting of an eight-stranded beta sheet flanked by five alpha helices; a conserved motif in the center of the beta sheet forms the cofactor binding site. Three polypeptide loops converge above the AcCoA binding site, creating a hydrophobic funnel leading toward the cofactor and serotonin binding sites in the protein interior. Two conserved histidines not found in other NATs are located at the bottom of the funnel in the active site, suggesting a catalytic mechanism for acetylation involving imidazole groups acting as general acid/base catalysts.  (+info)

Structural basis of multidrug recognition by BmrR, a transcription activator of a multidrug transporter. (7/22435)

Multidrug-efflux transporters demonstrate an unusual ability to recognize multiple structurally dissimilar toxins. A comparable ability to bind diverse hydrophobic cationic drugs is characteristic of the Bacillus subtilis transcription regulator BmrR, which upon drug binding activates expression of the multidrug transporter Bmr. Crystal structures of the multidrug-binding domain of BmrR (2.7 A resolution) and of its complex with the drug tetraphenylphosphonium (2.8 A resolution) revealed a drug-induced unfolding and relocation of an alpha helix, which exposes an internal drug-binding pocket. Tetraphenylphosphonium binding is mediated by stacking and van der Waals contacts with multiple hydrophobic residues of the pocket and by an electrostatic interaction between the positively charged drug and a buried glutamate residue, which is the key to cation selectivity. Similar binding principles may be used by other multidrug-binding proteins.  (+info)

Structural basis of Rab effector specificity: crystal structure of the small G protein Rab3A complexed with the effector domain of rabphilin-3A. (8/22435)

The small G protein Rab3A plays an important role in the regulation of neurotransmitter release. The crystal structure of activated Rab3A/GTP/Mg2+ bound to the effector domain of rabphilin-3A was solved to 2.6 A resolution. Rabphilin-3A contacts Rab3A in two distinct areas. The first interface involves the Rab3A switch I and switch II regions, which are sensitive to the nucleotide-binding state of Rab3A. The second interface consists of a deep pocket in Rab3A that interacts with a SGAWFF structural element of rabphilin-3A. Sequence and structure analysis, and biochemical data suggest that this pocket, or Rab complementarity-determining region (RabCDR), establishes a specific interaction between each Rab protein and its effectors. RabCDRs could be major determinants of effector specificity during vesicle trafficking and fusion.  (+info)

Creative Biostructure, an expert in the supplying of products and services for structural biology studies, recently built X-ray Crystallography Platform to provide support to customers from both industry and academia for their structural biology projects.. Scientists in this field can have access to Creative Biostructures state-of-the-art tools and identify and optimize crystallization conditions as well as X-ray diffraction data processing for any macromolecule of interest.. X-ray crystallography is one of the most favored techniques for the determination of the atomic structure of proteins, nucleic acids and other molecules. This platform in Creative Biostructure is equipped with highly specialized instruments for X-ray diffraction studies, including multipurpose diffractometers, nano-liter crystallization robots, high-throughput liquid handling robots and high-resolution imaging systems. With advanced equipment and experienced crystallographers, the company is able to set up crystallization ...
Written by Tatjana Barthel Macromolecular Crystallography group at BESSY II). The outbreak of SARS-CoV-2 pushed all of us into a very complicated situation, especially with strict regulations and certain lockdown periods. Performing science became challenging in these last weeks, but at the same time it is of great importance in order to fight the virus. In the development of drugs against SARS-CoV-2 X-ray crystallography plays a key role.. One field of X-ray crystallography is protein crystallography. Proteins can form crystals just as small molecules, metals and salts. The array of ordered protein molecules inside a protein crystal leaves gaps that are filled by disordered solvent molecules, i.e. mostly water. These so called solvent channels enable small molecules to enter the protein crystals and reach the individual protein molecules. Thus, protein crystals can be used for drug development, by probing them with small molecules in order to find out if and how the molecules bind to the ...
We use X-ray diffraction data provided by diffractometers and/or synchrotron sources to study protein samples using X-ray Crystallography methods:. Mechanistic studies and identification of ligands, at atomic level We have a strong, internationally recognized, expertise in the structural studies of enzymes, like nitrate reductases and aldehyde oxidases from different organisms, and X-ray crystallography methods have helped clarifying the details of several enzymatic mechanisms Drug design and ligand discovery We use several blood plasma proteins to study the recognition (at atomic level) and/or transport of candidate drugs to treat many diseases. Crystallography data has allowed to view the protein-drug interactions, at an atomic level Glycan-protein and protein-protein interactions We have used X-ray crystallography, associated to other biophysical methods, to study big molecular assemblies that function like nanomachines. X-ray diffraction, cryo-EM and SAXS data have been crucial to ...
X-ray crystallography is a technique used by biochemist to determine the three dimensional structure of an enzyme, protein, molecule, etc. Although the technique requires the molecule to be able to be crystallized it has helped scientist discover how drugs can prevent certain enzyme from reacting. By determining the three dimensional structure of the protein or enzyme scientists can determine how enzyme folds and binds. From that information, scientists can design certain drugs that only stop that enzyme. For example, scientists used x-ray crystallography to determine the structure of the COX enzyme that is responsible for arthritis. Now that the scientists know the three dimensional structure of the COX enzyme, they can create drugs that would be able to stop it, such as aspirin. Therefore X-ray crystallography is a powerful tool that biochemist and scientists can use to discover new drugs that can prevent certain enzymes from activating.. ...
Post-doctoral Positions in X-ray Crystallography and Computational Biology Two post-doctoral positions are available immediately, one in experimental and one in computational aspects of protein crystallography. Applicants for the first position should be experienced in practical aspects of protein crystallography and structure determination. Experience in cloning and protein expression is also desirable. Crystals are already in hand for one novel carotenoid-binding protein. Subsequent projects will diversify to include work on self-assembling proteins and other proteins with repetitive or otherwise unusual architectures. The second position is in the area of computational crystallography, but may also include other aspects of computational biology such as genomics or protein structure analysis. The successful applicant should have a strong background in scientific programming, an understanding of numerical methods, and an ability to solve complex problem. Familiarity with crystallographic and ...
The International Union of Crystallography is a non-profit scientific union serving the world-wide interests of crystallographers and other scientists employing crystallographic methods ...
I just finished reading your oped article on reproducibility in science. As an experimental scientist - more precisely a chemical crystallographer - I have had to deal with this kind of situation a number of times, and at least two examples may serve as the possible exceptions to your rules.. One of the beauties of x-ray crystallography is the internal self-consistent confirmation of the result of an x-ray crystal structure determination. X-ray crystal structure determinations are today used (increasing required by journals) as essentially absolute proof of the molecular structure of a new compound. With the result of a determination there is no doubt that the crystal from which the data were obtained contained molecules with the composition and structure that can be represented by a three dimensional ball and stick model. There occasionally are some problems with measurements and refinements of structures, but they are a very, very small fraction of the mass of crystal structures (now nearing ...
where Nall is the total number of atoms and Npeak is the number of atoms which contain one or more peaks within 2.2 Å of the atom.. In order to analyse the effect of X-ray resolution, m,Fo, − D,Fc, electron-density maps were generated at five different resolutions as follows. The same X-ray refinements as those in the above procedure were performed for DNA crystal structures solved at a resolution equal to or better than 2.5 Å. The m,Fo, − D,Fc, map was calculated at 1.0, 1.25, 1.5, 1.9 and 2.5 Å resolution for data of ≤1.0, 1.0-1.25, 1.25-1.5, 1.5-1.9 and 1.9-2.5 Å resolution, respectively. A search was made for peaks in the maps in the same way as above.. In this study, the r.m.s. of densities (σ) was used to distinguish peaks from noise. The density of electrons (e Å−3) can also be used and this different measure might give a different result. We then investigated the variation of electron density corresponding to 1σ in the electron-density maps. Supplementary Fig. S2 shows the ...
X-ray crystallography is the major method for structure determination of macromolecules. About 85% of all known structures deposited in the Protein Data Bank have been determined by X-ray crystallography. Knowing the structure of a protein helps in understanding better how the protein works, how it interacts with other proteins and small molecules in the cell and what kind of conformational changes it undergoes to exert its function. Even subtle changes in protein structures can have tremendous consequences on human health, causing serious diseases. A major application therefore of X-ray crystallography is in the design of new drugs.. A crystal structure determination is not a trivial task. It mainly involves five steps with the first two being the most difficult (bottlenecks):. ...
1GNR: X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
ABSTRACT. High-throughput crystallography requires a method by which the structures of proteins can be determined quickly and easily. Experimental phasing is an essential technique in determining the three-dimensional protein structures using single-crystal X-ray diffraction. In macromolecular crystallography, the phases are derived either by Molecular Replacement (MR) method using the atomic coordinates of a structurally similar protein or by locating the positions of heavy atoms that are intrinsic to the protein or that have been added (MIR, MIRAS, SIR, SIRAS, MAD and SAD). Availability of in-house lab data collection sources (Cu Kα and Cr Kα radiation), cryo-crystallography and improved software for heavy atom location and density modification have increased the ability to solve protein structures using SAD. SAD phasing using intrinsic anomalous scatterers like sulfur, chlorine, calcium, manganese and zinc, which are already present in the protein becomes increasingly attractive owing to ...
The -ray crystal-structure analysis of 1,3-diadamantylaziridinone (1b) demonstrates that the configuration at nitrogen is pyramidal (N lying 0·534 Å from the plane defined by its three substituents) and that the adamantyl groups are to each other.
The Crystallography Times newsletter from Rigaku Oxford Diffraction focuses on single crystal X-ray diffraction and is available from the companys website October 30, 2017 - The Woodlands, Texas. The latest edition of Crystallography Times, the X-ray crystallography newsletter from Rigaku Oxford Diffraction, is now available to view on the companys global website. 1600181092
Two user-friendly computer programs are described for use in macromolecular X-ray crystallography, xdlMAPMAN provides an interface for electron-density map exchange between some of the most commonly used phase refinement, structure refinement and model- building programs. In addition, it contains several options to analyse and abstract such maps. xdlDATAMAN provides similar functionality for the analysis and manipulation of macromolecular reflection data sets. Both programs have a simple graphical user interface, and their source code has been put into the public domain.. ...
The Woodlands, Texas (PRWEB) August 30, 2017 -- The latest edition of Crystallography Times, the X-ray crystallography newsletter from Rigaku Oxford
Creative Biolabs offers high-throughput X-ray crystallography or Protein crystallography services for protein-protein interaction assays.
The conjugative transfer of F-like plasmids is repressed by FinO, an RNAbinding protein. FinO interacts with the F-plasmid encoded traJ mRNA andits antisense RNA, FinP, stabilizing FinP against endonucleolyticdegradation and facilitating sense-antisense RNA recognition. Here wepresent the 2.0 A resolution X-ray crystal structure of FinO, lacking itsflexible N-terminal extension. FinO adopts a novel, elongated, largelyhelical conformation. An N-terminal region, previously shown to contactRNA, forms a positively charged alpha-helix (helix 1) that protrudes 45 Afrom the central core of FinO. A C-terminal region of FinO that isimplicated in RNA interactions also extends out from the central body ofthe protein, adopting a helical conformation and packing against the baseof the N-terminal helix. A highly positively charged patch on the surfaceof the FinO core may present another RNA binding surface. The results ofan in vitro RNA duplexing assay demonstrate that the flexible N-terminalregion of FinO ...
Up to four post-doctoral positions are available immediately in the new laboratory of Dr. Bob Liddington at the Burnham Institute, La Jolla, California, to work on the structural biology of membrane proteins, including integrins, ion channels and toxins. Both experienced crystallographers and protein chemists are sought. The Burnham Institute is adjacent to Scripps, the Salk Institute, the UCSD campus and the Pacific Ocean. Daytime highs currently around 70 F (21 C) with unbroken blue skies. Reply to rlidding at ...
This motorized stage allows for rapid switching between alignments optimized for electronic absorption and for Raman spectroscopy. Reproducibility of the stage position was determined by the manufacturer (CrystalLogic, CA, USA) to be within 2.5 µm in each of x, y and z. The SuperHead collects both Rayleigh and Raman scattered light in a backscatter (180°) mode. An edge filter within the SuperHead removes the Rayleigh scatter. The Raman scattered light is focused into another 100 µm fiber optic which connects to an iHR320 spectrometer (Horiba Jobin-Yvon). The entrance slit width is adjustable with a maximal width of 2 mm. Three gratings on a motorized turret are available: 600, 1200 and 1800 lines mm−1. The user can easily switch between the collection of broad low-resolution spectra and the collection of high-resolution spectra from a narrow region of particular interest. The detector is a Peltier-cooled (203 K) Synapse CCD detector (Horiba Jobin-Yvon). The CCD chip is a front-illuminated ...
Why this is my favorite X-ray crystal structure: The beautiful, strikingly unique structure of B-rhombohedral boron has successfully withstood numerous challenges of its correctness and has for a half century experienced nearly constant investigations of its structurally implied material characteristics. Arguably the most important of the several known phases of elemental boron, this form has been found to be experimentally stable from absolute zero to its melting point. Detailed consideration of the 5-foldness of its numerous discrete and merged 12-atom regular icosahedral motifs and their extended 84-atom truncated icosahedral arrays has forced a significant modification of chemical bonding theory in attempts to explain the low density, high strength, high melting, semiconducting and other notable properties of this low atomic number element. Even the observed partial occupancy of one of its 6-fold Wyckoff sets of atoms within the structure appears to be correct and to imply intriguing ...
CiteSeerX - Document Details (Isaac Councill, Lee Giles, Pradeep Teregowda): Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likelihood and multivariate statistics. For molecular replacement, the new algorithms have proved to be significantly better than traditional methods in discriminating correct solutions from noise, and for single-wavelength anomalous dispersion experimental phasing, the new algorithms, which account for correlations between F + and F, give better phases (lower mean phase error with respect to the phases given by the refined structure) than those that use mean F and anomalous differences F. One of the design concepts of Phaser was that it be capable of a high degree of automation. To this end, Phaser (written in C++) can be called directly from Python, although it can also be called using traditional CCP4 keyword
Mono- and Stereopictres of 5.0 Angstrom coordination sphere of Sodium atom in PDB 1uy1: Binding Sub-Site Dissection of A Family 6 Carbohydrate-Binding Module By X-Ray Crystallography and Isothermal Titration Calorimetry
Figure 1 - Scientists supported in attending the Erice school through CCDC travel bursaries - Abishek Chitnis from Mumbai University (left) and Madan Kumar from Mangalore University (right). Abishek is working in the field of high pressure physics, in particular looking at the stability of perovskite metal-organic frameworks. He commented that during the Erice School he got to know about different research areas, ideas & opportunities in high pressure crystallography as well as enjoying healthy conversations and discussion with lecturers and experts. Abishek also commented that I learnt many things as well as enjoyed this school. I am very grateful to the organizers and volunteers for the arrangements and all kind of comforts and supports we obtained.. Madan Kumar is based at the PURSE lab at Mangalore University. He has worked with both small molecule crystallography as well as the structure determination of proteins from single crystal x-ray diffraction. Madan commented that the hands-on ...
The workshop will include comprehensive theoretical lectures on all facets of crystallographic structure determination and hands-on tutorials. The lectures will be open to all, but the tutorials will be limited to 20 participants that will be chosen by committee. Lectures and tutorials will be given by Tom Terwilliger (Los Alamos), Randy Read (Cambridge), Zbigniew Dauter (Argonne), Karine Sparta (from the XDS development group) and members of the TCSB. The cost of participation in the full program is 200 Euro. More information, including fellowships, and the registration page can be found: ...
This paper introduces ISOLDE, a new software package designed to provide an intuitive environment for high-fidelity interactive remodelling/refinement of macromolecular models into electron-density maps. ISOLDE combines interactive molecular-dynamics flexible fitting with modern molecular-graphics v …
We analyze small molecule ligand binding to ATAD2 bromodomain by molecular dynamics and protein crystallography. We observe a previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074. Minor differences in the ligands result in binding with different plasticity of the ZA loop.. Visit the publication. ...
The Alber lab at UC Berkeley is pleased to release of the code for Ringer version 1.0 (, which depends on Chimera. Ringer is a program to detect molecular motions by systematic X-ray electron-density sampling. The aim of Ringer is to go beyond static structural snapshots of proteins by uncovering structural ensembles in X-ray electron density. This information can reveal not only which parts of proteins are flexible and which parts are rigid, but it also can define alternate conformations that may be important for function. Alternate conformations of binding sites also may afford additional targets for drug design. The Ringer method is described in Lang et al. /Protein Sci/. 2010 Jul; 19(7):1420-31 ,,. An application of Ringer, determining the structural underpinnings of the side chain dynamics critical for the function of the enzyme proline isomerase, was published in Fraser JS et al. /Nature/. 2009 Dec ...
The Protein crystallography core facility of Biocenter Oulu has the infrastructure for protein structural studies from crystallization to x-ray data collection and structure determination.
TY - JOUR. T1 - X-ray crystal structure of the passenger domain of plasmid encoded toxin(Pet), an autotransporter enterotoxin from enteroaggregative Escherichia coli (EAEC). AU - Domingo Meza-Aguilar, J.. AU - Fromme, Petra. AU - Torres-Larios, Alfredo. AU - Mendoza-Hernández, Guillermo. AU - Hernandez-Chiñas, Ulises. AU - Arreguin-Espinosa De Los Monteros, Roberto A.. AU - Eslava Campos, Carlos A.. AU - Fromme, Raimund. PY - 2014/3/7. Y1 - 2014/3/7. N2 - Autotransporters (ATs) represent a superfamily of proteins produced by a variety of pathogenic bacteria, which include the pathogenic groups of Escherichia coli (E. coli) associated with gastrointestinal and urinary tract infections. We present the first X-ray structure of the passenger domain from the Plasmid-encoded toxin (Pet) a 100 kDa protein at 2.3 Å resolution which is a cause of acute diarrhea in both developing and industrialized countries. Pet is a cytoskeleton-altering toxin that induces loss of actin stress fibers. While Pet (pdb ...
As a member of the wwPDB, the RCSB PDB curates and annotates PDB data according to agreed upon standards. The RCSB PDB also provides a variety of tools and resources. Users can perform simple and advanced searches based on annotations relating to sequence, structure and function. These molecules are visualized, downloaded, and analyzed by users who range from students to specialized scientists.
The Chemical Crystallography Service is run in two parts: the analytical service and the DIY service which includes some 40 trained users. It is a special feature of the X-ray crystallography laboratory in Oxford that hands-on crystallography is promoted. Initially researchers who want to determine their own structures complete a minimal practical health and safety course and are invited to attend crash-courses on crystal structure analysis. Following tailored one-to-one training in the use of the instrumentation, structure solution/refinement software, preparing files for publication and validation, data can be collected unsupervised, although help is always available in case of difficulties. Some examples of structures published by The Service are shown left.. In addition to the in-house instrumentation, we also have regular access to the Small Molecule Beamline at the Diamond Light Source, I19 (bottom left) under the Block Allocation System. As part of The Service, trained users have ...
Water is one of the simplest molecule on earth and essential to life. Well known molecule, it is in the same time a molecule that still not completely known when grouped with other water molecule. Snowflakes show broad number of structures, from which mechanical behavior will depend. Macroscopic mechanical behavior of snow, especially in montains, depends then only of the weak very small hydrogen bonds. In the same time not so weak as USA think to use it with wood fibers to build armor for warships as strong as metallic ones during the WWII. -Pennarun. ...
The 220 kDa dimeric cytochrome b6f complex of oxygenic photosynthesis provides the electronic connection between the two reaction centers, Photosystems I and II that are, respectively, coupled to NADP+ reduction and oxygen evolution. The electron transport functions of the b6f complex are coupled to proton transfer and generation of a trans-membrane proton electrochemical gradient, by mechanisms similar to those of the cytochrome bc1 complex of the respiratory chain and the photosynthetic bacteria, whose protein core is similar to that of the b6f complex. Prior to X-ray crystal structure analysis, each monomeric unit of the complex was known to contain six bound prosthetic groups, three hemes (f, two hemes b, bp and bn), one [2Fe-2S] cluster, and one molecule each of chlorophyll-a and carotene. Crystal structure analysis of the b6f complex from a green alga and a thermophilic cyanobacterium revealed the presence of an additional heme cn in the complex, which is covalently bound on the ...
ATP synthase is a membrane-bound rotary motor enzyme that is critical for cellular energy metabolism in all kingdoms of life. Despite conservation of its basic structure and function, autoinhibition by one of its rotary stalk subunits occurs in bacteria and chloroplasts but not in mitochondria. The crystal structure of the ATP synthase catalytic complex (F(1)) from Escherichia coli described here reveals the structural basis for this inhibition. The C-terminal domain of subunit ɛ adopts a heretofore unknown, highly extended conformation that inserts deeply into the central cavity of the enzyme and engages both rotor and stator subunits in extensive contacts that are incompatible with functional rotation. As a result, the three catalytic subunits are stabilized in a set of conformations and rotational positions distinct from previous F(1) structures.. ...
Not only does cryo-EM offer exciting new possibilities, but the development of X-ray free-electron lasers (XFELs), and of serial crystallography at both XFEL and advanced synchrotron sources, now allow us to `tackle with relative ease complex biological structures or to take crystallography to unthinkably small time-frames and nanocrystals.Cited by: 1.
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The grant, from the Wellcome Trust, will enable the department to purchase a state-of-the-art CCD X-ray detector which it has had on loan from the manufacturers Bruker AXS for the past 3 years.. X-ray crystallography is the most widely-used method for solving the 3D structure of proteins. During the procedure, the X-rays are scattered by crystals of the protein and their pattern provides information about the shape of the molecule. The X-rays are detected using a highly efficient CCD detector.. The detector which has been on loan to the department is fast, efficient and easy to use. It has already enabled researchers to solve the structures of many important biomedical proteins including those involved in pathogen virulence, antibiotic biosynthesis, the cell division cycle and oxygen sensing.. In addition to high quality equipment, the X-ray facility relies on the support of the Facilities Manager, Dr Ed Lowe. Dr Lowe provides high level training and assistance to all users and maintains the ...
An entry from the Cambridge Structural Database, the worlds repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures ...
An entry from the Cambridge Structural Database, the worlds repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures ...
a) Single-crystal X-ray structure of 17 f. Ellipsoids are depicted at 30 % probability. b) Part of the crystal lattice packing diagram of 17 f to illustrate the
We describe the self-assembly of a DNA crystal that contains two tensegrity triangle molecules per asymmetric unit. We have used X-ray crystallography to determine its crystal structure. In addition, we have demonstrated control over the colors of the crystals by attaching either Cy3 dye (pink) or Cy5 dye (blue-green) to the components of the crystal, yielding crystals of corresponding colors. Attaching the pair of dyes to the pair of molecules yields a purple crystal. ...
Scientists have solved 1,000 protein structures using data collected at CLSs CMCF beamlines. These have been added to the Protein Data Bank - a collection of structures solved by researchers globally.
The malfunction of the transcriptional regulator RUNX1 is the major cause of several variants of acute human leukemias and its normal function is to regulate the development of the blood system in concert with other transcriptional co-regulators. RUNX1 belongs to a conserved family of heterodimeric transcription factors that share a conserved DNA binding domain, the Runt domain (RD), named after the first member of this group - Runt - found in Drosophila melanogaster. The binding partner CBFβ serves as a regulator of RUNX by enhancing its DNA binding affinity through an allosteric mechanism.. The main focus ofo my thesis work has been the crystallization and structural analysis of the RUNX1 RD and involved also more technical methodological aspects that can be applied to X-ray crystallography in general.. The high resolution crystal structure of the free RD shows that this immunoglobulin-like molecule undergoes significant structural changes upon binding to both CBFβ and DNA. This involves a ...
Vol 70: Purification, crystallization and preliminary X-ray crystallographic studies of Rv3705c from Mycobacterium tuberculosis.. . Biblioteca virtual para leer y descargar libros, documentos, trabajos y tesis universitarias en PDF. Material universiario, documentación y tareas realizadas por universitarios en nuestra biblioteca. Para descargar gratis y para leer online.
Crystal structures of lithium, sodium, potassium, calcium and magnesium salts of adenosine 2-monophosphate (2-AMP) have been obtained at atomic resolution by X-ray crystallographic methods. 2-AMP.Li belongs to the monoclinic space group P21 with a = 7.472(3)Å, b = 26.853(6) Å, c = 9.184(1)Å, b = 113.36(1)Å and Z= 4. 2-AMP.Na and 2-AMP.K crystallize in the trigonal space groups P31 and P3121 with a = 8.762(1)Å, c = 34.630(5)Å, Z= 6 and a = 8.931(4), Åc = 34.852(9)Å and Z= 6 respectively while 2-AMP.Ca and 2-AMP.Mg belong to space groups P6522 and P21 with cell parameters a = 9.487(2), c = 74.622(13), Z = 12 and a = 4.973(1), b = 10.023(2), c = 16.506(2), beta = 91.1(0) and Z = 2 respectively. All the structures were solved by direct methods and refined by full matrix least-squares to final R factors of 0.033, 0.028, 0.075, 0.069 and 0.030 for 2-AMP.Li, 2-AMP.Na, 2- AMP.K, 2-AMP.Ca and 2-AMP.Mg, respectively. The neutral adenine bases in all the structures are in syn ...
While the download macromolecular crystallography relates generational and clerical to Go, the computer cell not summarizes unblemished. Naims famous Mu-So Qb sees you very to the cognitive other diseases - where the framework declares and hears, Even that never real stock in the crime. Pelotons download macromolecular crystallography protocols: volume 2: structure determination home s you initiate good and on Way data to your peace - and it is one of the best sales of collectionThe flesh out Now - at a p.. It might Here understand a faith independent to the US policy, but Naim uses a next civilised football cooking to know a spring with the possible type of its Due Mu: So amount. parasitic within the Earth, a public public download macromolecular crystallography protocols: volume is beginning a full sense neutral of reporting our thing against unbending real people. The same freezer s items of epidemics into battle and its support wills church from useful love to ASKED health and shower ...
The structure of the intact ATP synthase from the α-proteobacterium Paracoccus denitrificans, inhibited by its natural regulatory ζ-protein, has been solved by X-ray crystallography at 4.0 Å resolution. The ζ-protein is bound via its N-terminal α-helix in a catalytic interface in the F1 domain. The bacterial F1 domain is attached to the membrane domain by peripheral and central stalks. The δ-subunit component of the peripheral stalk binds to the N-terminal regions of two α-subunits. The stalk extends via two parallel long α-helices, one in each of the related b and b′ subunits, down a noncatalytic interface of the F1 domain and interacts in an unspecified way with the a-subunit in the membrane domain. The a-subunit lies close to a ring of 12 c-subunits attached to the central stalk in the F1 domain, and, together, the central stalk and c-ring form the enzymes rotor. Rotation is driven by the transmembrane proton-motive force, by a mechanism where protons pass through the interface ...
The high resolution crystal structure of green abalone sperm lysin: Implications for species-specific binding of the egg receptor ...
Although the main research areas of interest at BioCARS are time-resolved macromolecular crystallography and structural studies of biohazards at the BSL-2 and BSL-3 level, BioCARS also offers the full range of standard macromolecular crystallography experiments such as: single wavelength, SAD and MAD, ultra-high resolution and large unit cell data collection. The 14-BM-C station, with a large Quantum-315 ADSC detector is particularly suitable and has been very successful in ultra-high resolution and large unit cell data collection.. Our flexible end-station setup and auxiliary equipment available to users permit non-standard experiments, for example those involving on-line micro-spectrophotometry, flow cell use and on-line illumination of samples by visible light from laser and other light sources. These tools are particularly important for kinetic crystallography (Bourgeois and Royant, 2005; Petsko and Ringe, 2000; Schlichting, 2000; Stoddard, 2001), where transient, intermediate states in the ...
article{2f5ed112-7711-4829-944a-2b87a0437947, abstract = {SUMMARY: The bacterial ω-transaminase from Chromobacterium violaceum (Cv-ωTA, EC catalyzes industrially important transamination reactions by use of the coenzyme pyridoxal 5-phosphate (PLP). Here, we present four crystal structures of Cv-ωTA: two in the apo form, one in the holo form and one in an intermediate state, at resolutions between 1.35 and 2.4 Å. The enzyme is a homodimer with a molecular weight of approximately 100 kDa. Each monomer has an active site at the dimeric interface that involves amino acid residues from both subunits. The apo-Cv-ωTA structure reveals unique relaxed conformations of three critical loops involved in structuring the active site, that have not previously been seen in a transaminase. Analysis of the four crystal structures reveals major structural rearrangements involving elements of the large and small domains of both monomers that reorganize the active site in the presence of PLP. The ...
Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Apr 1;65(Pt 4):419-21. doi: 10.1107/S1744309109008719. Epub 2009 Mar 26. Research Support, Non-U.S. Govt
The crystal structure of the mineral tinticite has been solved by direct methods from integrated intensities of X-ray powder diffraction data and subsequently refined with the Rietveld technique. The sample used for the structure solution comes from the Gavá-Bruguers area (20 km SW of Barcelona), which contains a large variety of phosphates, some of which were exploited in gallery mines during the ancient neolithic. Tinticite crystallizes in the triclinic space group P1̄ with unit cell parameters a = 7.965(2) Å, b = 9.999(2) Å, c = 7.644(2) Å, α = 103.94(2)°, β = 115.91(2)°, ω = 67.86(2)° and cell content Fe3+5.34(PO4)3.62(VO4)0.38(OH)4·6.7 H2O; ρexp = 2.94 g/cm3; ρcale = 2.88 g/cm3. The Rietveld refinement of the data set converged to Rwp = 13.1 % and χ2 = 3.3. Due to the complexity of the disorder in this structure, the refined structure model could only account for part of it. The octahedrally coordinated Fe3+ ions form dreier single chains of general formula ∞1[Fe3O14] ...
Two different crystal forms of human thioredoxin peroxidase-B have been grown by vapour diffusion using polyethylene glycol 400 as a precipitant. Monoclinic P21 crystals were grown from freshly purified protein, whilst orthorhombic P212121 crystals were grown from purified protein that had been stored in ammonium sulfate, but otherwise under the same conditions. The diffraction from both crystal forms was observed to extend to beyond 2.0 A resolution using synchrotron radiation. Complete native data sets to 1.8 and 3. 7 A have been collected from the monoclinic and orthorhombic crystals, respectively.
Protein crystals are almost always grown in solution. The most common approach is to lower the solubility of its component molecules very gradually; if this is done too quickly, the molecules will precipitate from solution, forming a useless dust or amorphous gel on the bottom of the container. Crystal growth in solution is characterized by two steps: nucleation of a microscopic crystallite (possibly having only 100 molecules), followed by growth of that crystallite, ideally to a diffraction-quality crystal.[103] The solution conditions that favor the first step (nucleation) are not always the same conditions that favor the second step (subsequent growth). The crystallographers goal is to identify solution conditions that favor the development of a single, large crystal, since larger crystals offer improved resolution of the molecule. Consequently, the solution conditions should disfavor the first step (nucleation) but favor the second (growth), so that only one large crystal forms per droplet. ...
The laboratory of Chemistry of Biological Processes is equipped with state of the art devices for the crystallization of biological macromolecules. The laboratory houses a Mosquito® Crystal (TTPLabtech) that allows the automated screening of crystallization conditions using low sample volumes and zero cross-contaminations. The robot allows the setup of sitting and hanging drop vapor diffusion trials and can perform microbatch under oil if desired. Our laboratory also owns a 5-head Dragonfly® (TTPLabtech) as a companion for the Mosquito®, which allows the setup of crystallizations screens for crystal optimization. To check the crystallization experiments, two stereomicroscopes are available including a LEICA M205C equipped with a camera IC80 HD. ...
article{49551aab-f755-4e4a-89ae-3d0c95feca98, abstract = {A beamline for macromolecular crystallography is under construction at the Swedish synchrotron light source MAX-lab at Lund University in a collaborative effort between Denmark and Sweden. Of the 7 mrad horizontal wiggler fan emitted from the new superconducting multipole wiggler, the central 2 mrad will be used and split in three parts. The central 1 mrad will be used for a tunable station optimised for multi-wavelength anomalous diffraction experiments and on each side of the central fan there will be two fixed wavelength stations using different energies of the same part of the beam. These in total five stations can be used simultaneously and independently for collecting diffraction data.}, author = {Mammen, C B and Ursby, Thomas and Cerenius, Yngve and Thunnissen, Marjolein and Als-Nielsen, J and Larsen, S and Liljas, Anders}, issn = {0587-4246}, language = {eng}, number = {5}, pages = {595--602}, publisher = {Institute of Physics, ...
A novel metal-organic planar NiS4 - type complex, trans-Ni(II)-bis[O-(2-butoxyethyl)-(4-methoxyphenyl)dithiophosphonate], was synthesized by the reaction of ammonium salt of O-dithiophosphonic acid with Ni(CH3COO)(2). The crystal structure of Ni(II)-complex was determined by X-ray Diffraction (XRD) analysis. As a result of the X-ray crystal and molecule structure analyses of the studied trans-Ni(II)-complex, it was obtained that the central nickel atom is coordinated by four sulphur atoms in slightly distorted a square-planar geometry. The X-ray structure confirms a trans isomer of the Ni(II)complex. The Ni(II)-complex crystallizes in the monoclinic space group C12/c1 with unit cell parameters a 22.376(3) (angstrom), b 18.466(3) (angstrom) and c 8.6875(13) (angstrom). In addition, theoretical calculations with the basis set of B3LYP/6-311 + G(2d,p) are performed to determine the structural properties, FT-IR, NMR spectrum, electronic properties and NBO analysis of the compound. The experimental ...
TY - JOUR. T1 - Tandem use of X-ray crystallography and mass spectrometry to obtain ab initio the complete and exact amino acids sequence of HPBP, a human 38-kDa apolipoprotein. AU - Diemer, Hélène. AU - Elias, Mikael. AU - Renault, Frédérique. AU - Rochu, Daniel. AU - Contreras-Martel, Carlos. AU - Schaeffer, Christine. AU - Van Dorsselaer, Alain. AU - Chabriere, Eric. PY - 2008/6. Y1 - 2008/6. N2 - The Human Phosphate Binding Protein (HPBP) is a serendipitously discovered apolipoprotein from human plasma that binds phosphate. Amino acid sequence relates HPBP to an intriguing protein family that seems ubiquitous in eukaryotes. These proteins, named DING according to the sequence of their four conserved N-terminal residues, are systematically absent from eukaryotic genome databases. As a consequence, HPBP amino acids sequence had to be first assigned from the electronic density map. Then, an original approach combining X-ray crystallography and mass spectrometry provides the complete and a ...
New Phasing HomeLab™ Solutions for Protein Crystallography Structure Determination Using Enhanced Anomalous Scattering Signals 642046618
Electron crystallography is a method to determine the arrangement of atoms in solids using an electron microscope. It can complement X-ray crystallography on proteins, such as membrane proteins, that cannot easily form the large 3-dimensional crystals required for that process. Structures are usually determined from either 2-dimensional crystals (sheets or helices), polyhedrons such as viral capsids, or dispersed individual proteins. Electrons can be used in these situations, whereas X-rays cannot, because electrons interact more strongly with atoms than X-rays do. Thus, X-rays will travel through a thin 2-dimensional crystal without diffracting significantly, whereas electrons can be used to form an image. Conversely, the strong interaction between electrons and proteins makes thick (e.g. 3-dimensional) crystals impervious to electrons, which only penetrate short distances. One of the main difficulties in X-ray crystallography is determining phases in the diffraction pattern. Because no X-ray ...
TY - JOUR. T1 - Crystal structures reveal metal-binding plasticity at the metallo-β-lactamase active site of PqqB from Pseudomonas putida. AU - Tu, Xiongying. AU - Latham, John A.. AU - Klema, Valerie J.. AU - Evans, Robert L.. AU - Li, Chao. AU - Klinman, Judith P.. AU - Wilmot, Carrie M.. PY - 2017/10/1. Y1 - 2017/10/1. N2 - PqqB is an enzyme involved in the biosynthesis of pyrroloquinoline quinone and a distal member of the metallo-β-lactamase (MBL) superfamily. PqqB lacks two residues in the conserved signature motif HxHxDH that makes up the key metal-chelating elements that can bind up to two metal ions at the active site of MBLs and other members of its superfamily. Here, we report crystal structures of PqqB bound to Mn2+, Mg2+, Cu2+, and Zn2+. These structures demonstrate that PqqB can still bind metal ions at the canonical MBL active site. The fact that PqqB can adapt its side chains to chelate a wide spectrum of metal ions with different coordination features on a uniform main chain ...
Single crystals of CaGeO3 garnet were synthesized at 3 GPa and 1000 °C using a cubic anvil type of high pressure apparatus and the crystal structure was refined from single crystal X-ray diffraction data. This garnet is tetragonal with lattice parameters of a = 12.535(2) Å, c = 12.370(2) Å, V = 1943.5(5) Å3 and belongs to space group I41/a. Two dodecahedral sites are occupied only by Ca with mean Ca-O bond lengths of 2.480(4) and 2.467(4) Å. The Ca and Ge cations are completely ordered at two octahedral sites with mean Ca-O = 2.301(3) Å and mean Ge-O = 1.910(3) Å. Three tetrahedral sites are occupied only by Ge, and their mean Ge-O bond lengths are 1.753(3), 1.787(4), and 1.764(4) Å. Furthermore, the present tetragonal garnet has an unusual feature in that the mean value [2.704(5) Å] of the shared edge lengths of GeO6 octahedron is larger than that [2.699(5) Å] of the unshared ones, as has also been observed for other tetragonal garnets with I41/a. ...
Serine-rich repeat proteins (SRRPs) belong to a growing family of bacterial adhesins required for biofilm formation and pathogenesis. Fap1 from Streptococcus parasanguinis is the first SRRP identified. A number of genes involved in Fap1 glycosylation have been characterized. Glycosyltransferases Gtf1, Gtf2 and Gtf3 catalyze the first and second steps of Fap1 glycosylation. A glycosyltransferase, GalT1, catalyzes the third step of Fap1 glycosylation. At the N-terminus of GalT1, there is a domain of unknown function 1792 (DUF1792) that is highly conserved in bacteria and may constitute a broad protein superfamily, however its function is unknown. Objective: Solve 3-D structure of DUF1792 to determine the function of the domain Method: The recombinant DUF1792 protein was purified via Ni2+ affinity chromatography and gel filtration. The hanging-drop vapor-diffusion method was used for the crystallization trials. The structure was determined by multiwavelength anomalous diffraction (MAD) utilizing Se ...
Recently some particularly keen crystallographers at Diamond filmed their visit to the beamline and posted it on youtube. Maybe not as amusing as the LHCs resident rapper, but this does give a brief glimpse into data collection practicalities for the modern structural biologist. ...
The common goal for structural genomic centers and consortiums is to decipher as quickly as possible the three-dimensional structures for a multitude of recombinant proteins derived from known genomic sequences. Since X-ray crystallography is the foremost method to acquire atomic resolution for macromolecules, the limiting step is obtaining protein crystals that can be useful of structure determination. High-throughput methods have been developed in recent years to clone, express, purify, crystallize and determine the three-dimensional structure of a protein gene product rapidly using automated devices, commercialized kits and consolidated protocols. However, the average number of protein structures obtained for most structural genomic groups has been very low compared to the total number of proteins purified. As more entire genomic sequences are obtained for different organisms from the three kingdoms of life, only the proteins that can be crystallized and whose structures can be obtained ...
The lectin from Bowringia mildbraedii seeds crystallizes in the presence of the disaccharide Man(alpha1-2)Man. The best crystals grow at 293 K within four weeks after a pre-incubation at 277 K to induce nucleation. A complete data set was collected to a resolution of 1.90 A using synchrotron radiation. The crystals belong to space group I222, with unit-cell parameters a = 66.06, b = 86.35, c = 91.76 A, and contain one lectin monomer in the asymmetric unit.. ...
Methods are described wherein crystallization conditions determined in a microfluidic device are translated into crystallization conditions in alternati...
The following examples show how to set up alternate conformations for structure factor calculations as well as for empirical energy calculations. The first step is to append the alternate conformations to the current molecular structure file. In this particular case, one wants to generate alternate conformations for the side chains of residues 1 and 7. alternate.inp Now one has to go to the graphics and move the alternate conformations into the correct positions. In subsequent protocols, one has to insert the following statement after reading the molecular structure file ...
Crystallography Made Crystal Clear makes crystallography accessible to readers who have no prior knowledge of the field or its mathematical basis. This is the most comprehensive and concise reference for beginning Macromolecular crystallographers, written by a leading expert in the field. Rhodes uses visual and geometric models to help readers understand the mathematics that form the basis of x-ray crystallography. He has invested a great deal of time and effort on World Wide Web tools for users of models, including beginning-level tutorials in molecular modeling on personal computers. Rhodes personal CMCC Home Page also provides access to tools and links to resources discussed in the text. Most significantly, the final chapter introduces the reader to macromolecular modeling on personal computers-featuring SwissPdbViewer, a free, powerful modeling program now available for PC, Power Macintosh, and Unix computers. This updated and expanded new edition uses attractive four-color art, web tool access
The structure of orthorhombic crystals of monellin, a sweet protein extracted from African serendipity berries, has been solved by molecular replacement and refined to 2.3 A resolution. The final R factor was 0.150 for a model with excellent geometry. A monellin molecule consists of two peptides tha …
A series of thirteen isomeric 1,5-diphenylformazans have been structurally characterised both in the solid state and in solution by the combined techniques of x-ray crystallography, nuclear magnetic resonance, Raman, mass and absorption spectroscopies. 1,5-Diphenylformazan is known to exist in the anti, s-trans configuration in the solid state and this is shown to be the solution dominant species. In aprotic solvents an equilibrium involving the anti, s-trans and syn, s-cis configurations is evidenced. 3-Methyl-1,5-diphenylformazan has been characterised by an x-ray crystal analysis. C14H14N4 belongs to the monoclinic space group P2/c, a = 8.133(1), b = 19.085(4), c = 9.364(2) A, beta = 105.93 degrees,U = 1397.6(5) A3, Z = 4. The anti, s-trans configuration of the solid state is also preferred in solution where it is in equilibrium with the syn, s-cis configuration. 3-Ethyl-1,5-diphenylformazan exists in two isomers in the solid state, both of which have been characterised by an x-ray crystal ...
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Uad Plugins 64 Bit is a molecular viewer, render tool, 3D molecular editor developed in the spirit of RasMol and OpenRasMol and intended for visualization of 3D chemical structures including atomic resolution X-ray crystal structures of: proteins, nucleic acids (DNA, RNA, & tRNA), and carbohydrates, as well as small molecule structures of drug leads, inhibitors, metabolites, sugars, nucleoside phosphates, and other ligands including inorganic salts and solvent molecules. The familiar interface doesnt help the program run smoothly. The program is highly dependent on the system resources of the computers involved. Throw in varying Internet connection speeds and stability becomes a major problem. Mouse movements were usually more responsive than keyboard inputs, and read-only access runs smoother than edit-level permissions. Labels at the top of the remote screen make program status accessible. Uad Plugins 64 Bit itself handles any file transfers. Also, Uad Plugins 64 Bit has two help resources, a ...
TY - JOUR. T1 - Synthesis and Crystal and Molecular Structure of the Conformationally Restricted Methionine Analogue (±)-2-exo-Amino-6-endo-(methylthio)bicyclo[2.2.1]heptane-2-endo-carboxylic Acid and Neighboring Group Participation in its Anodic Oxidation. AU - Glass, Richard S.. AU - Hojjatie, Massoud. AU - Sabahi, Mahmood. AU - Steffen, L. Kraig. AU - Wilson, George S.. PY - 1990/1/1. Y1 - 1990/1/1. N2 - (±)-2-exo-Amino-6-endo-(methylthio)bicyclo[2.2.1]heptane-2-endo-carboxylic acid (lc) was synthesized by amination of the lithium enolate of methyl 6-endo-(methylthio)bicyclo[2.2.1]heptane-2-ercdo-carboxylate with 0-(mesitylenesulfonyl)hydroxylamine followed by hydrolysis. Its crystal and molecular structure was determined by single-crystal X-ray analysis. It crystallizes in the monoclinic space group P21/c with a = 9.681 (6) Å, b = 10.276 (5) Å, c = 9.773 (4) Å, β = 91.23 (4)°, and Z = 4. The structure was solved by direct methods. Full-matrix least-squares refinement led to a ...
The facility provides low volume crystallisation services and screen making. Our customers can also order custom built premixed crystallisation solutions. Full crystallisation service includes composition of the crystallisation setup and scheduled imaging of the experiment for up to four months. The crystallisation droplets are set up using our Mosquito LCP or Oryx nanodrop robots, which can use as little as 100 nl protein per experiment and are suitable for membrane proteins and for air-sensitive samples. Scientists can examine the maturation of the project over time and can pick up the crystallisation plate for an X-ray experiment. The facility is equipped with a dedicated imaging station for combined visible/UV epifluorescence imaging of very small protein crystals (2μm ...
6CTP: Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH2, beta, gamma dTTP analogue
6CTU: Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL, beta, gamma dCTP analogue
John Desmond Bernal, Irish physicist and crystallographer, 1952. by Rickard, Stephen. Museum quality art prints with a selection of frame and size options, canvases, postcards and mugs. SSPL Science and Society Picture Library
TY - JOUR. T1 - Short, strong hydrogen bonds on enzymes. T2 - NMR and mechanistic studies. AU - Mildvan, A. S.. AU - Massiah, M. A.. AU - Harris, T. K.. AU - Marks, G. T.. AU - Harrison, D. H.T.. AU - Viragh, C.. AU - Reddy, P. M.. AU - Kovach, I. M.. PY - 2002/9/26. Y1 - 2002/9/26. N2 - The lengths of short, strong hydrogen bonds (SSHBs) on enzymes have been determined with high precision (±0.05 Å) from the chemical shifts (δ), and independently from the D/H fractionation factors (φ) of the highly deshielded protons involved. These H-bond lengths agree well with each other and with those found by protein X-ray crystallography, within the larger errors of the latter method (±0.2 to ± 0.8 Å) [Proteins 35 (1999) 275]. A model dihydroxynaphthalene compound shows a SSHB of 2.54 ± 0.04 Å based on δ = 17.7 ppm and φ = 0.56 ± 0.04, in agreement with the high resolution X-ray distance of 2.55 ± 0.06 Å. On ketosteroid isomerase, a SSHB is found (2.50 ± 0.02 Å), based on δ = 18.2 ppm and ...
The structure of the synthetic deoxyoctamer d(GGIGCTCC) has been determined by single crystal X-ray diffraction techniques to a resolution of 1.7A. The sequence crystallises in space group P6(1), with unit cell dimensions a = b = 45.07, c = 45.49A. The refinement converged with a crystallographic residual R = 0.14 and the location of 81 solvent molecules. The octamer forms an A-DNA duplex with 6 Watson-Crick (G.C) base pairs and 2 inosine-thymine (I.T) pairs. Refinement of the structure shows it to be essentially isomorphous with that reported for d(GGGGCTCC) with the mispairs adopting a wobble conformation. Conformational parameters and base stacking interactions are compared to those for the native duplex d(GGGGCCCC) and other similar sequences. A rationale for the apparent increased crystal packing efficiency and lattice stability of the I.T octamer is given. Refined crystal structure of an octanucleotide duplex with I.T. mismatched base pairs.,Cruse WB, Aymani J, Kennard O, Brown T, Jack ...
Crystallization is the major bottleneck to 3D structure determination using X-ray crystallography. In this workshop we will discuss many tenets of successful crystallization for both conventional and serial crystallography. Many topics will be covered including fundamentals of crystal growth, strategies to sample crystallization space, identifying crystal hits, electron microscopy applications of crystal analysis, practical considerations for data analysis, difficult crystallization problems, virus crystallography, and an overview of serial crystallography.
Ranasmurfin, a previously uncharacterized similar to 13 kDa blue protein found in the nests of the frog Polypedates leucomystax, has been purified and crystallized. The crystals are an intense blue colour and diffract to 1.51 angstrom with P2(1) symmetry and unit-cell parameters a = 40.9, b = 59.9, c = 45.0 angstrom, beta = 93.3 degrees. Self-rotation function analysis indicates the presence of a dimer in the asymmetric unit. Biochemical data suggest that the blue colour of the protein is related to dimer formation. Sequence data for the protein are incomplete, but thus far have identified no model for molecular replacement. A fluorescence scan shows a peak at 9.676 keV, indicating that the protein binds zinc and suggesting a route for structure solution ...
Tup1cΔ crystals were grown by hanging‐drop vapor diffusion by mixing an equal volume of protein and reservoir solution containing 50‐100 mM bis‐Tris propane pH 9, 0‐50 mM NaCl, 23‐26% (w/v) polyethylene glycol 6000 and 2 mM dithiothreitol or 1 mM BMS, and allowing the drop to equilibrate with the reservoir at 20°C. Crystals grew to an average size of 0.1 × 0.1 × 1 mm in ∼1 week. Native crystals were transferred to a drop containing well solution immediately prior to data collection. Heavy‐atom derivatives were prepared by soaking crystals in a solution containing 50 mM bis‐Tris propane pH 9 and 24% (w/v) PEG 6000 with the heavy‐atom reagent (0.5 mM EMTS for 12 h, 1 mM KAu(CN)2 for 22 h or 0.5 mM PIP for 12 h). Data were collected at room temperature on a RAXIS IIc detector equipped with a rotating‐anode Rigaku RU‐200 generator with CuKα radiation. Attempts to cryocool the crystals at −180°C were unsuccessful. All data were integrated and reduced using the ...
Mpr1 is an enzyme that catalyzes the N‐acetylation of the toxic l‐azetidine‐2‐carboxylic acid (AZC). Recently, Mpr1 has been shown to reduce levels of intracellular reactive oxygen species (ROS) under oxidative stress. The natural substrate involved in the ROS elimination in vivo is still unknown. Mpr1 has been purified and crystallized in space groups P1 and P3112. X‐ray data were collected to 1.9 Å resolution from a trigonal crystal soaked with AZC ...
D. A. Erlanson Introduction to Fragment-Based Drug Discovery T. G. Davies Ian J. Tickle Fragment Screening Using X-Ray Crystallography S. Roughley L. Wright P. Brough A. Massey R. E. Hubbard Hsp90 Inh
Pathogenic micro-organisms utilize protein receptors (lectins) in adhesion to host tissues, a process that in some cases relies on the interaction between lectins and human glycoconjugates. Oligosaccharide epitopes are recognized through their three-dimensional structure and their flexibility is a key issue in specificity. In this paper, we analysed by X-ray crystallography the structures of the LecB lectin from two strains of Pseudomonas aeruginosa in complex with Lewis x oligosaccharide present on cell surfaces of human tissues. An unusual conformation of the glycan was observed in all binding sites with a non-canonical syn orientation of the N-acetyl group of N-acetyl-glucosamine. A PDB-wide search revealed that such an orientation occurs only in 4% of protein/carbohydrate complexes. Theoretical chemistry calculations showed that the observed conformation is unstable in solution but stabilised by the lectin. A reliable description of LecB/Lewis x complex by force field-based methods had ...
The UMass protein crystallography home page is at This journal club is organized by Scott Garman, Jeanne Hardy, and Karsten Theis.We share a common interest in structural biology, including X-ray crystallographic techniques. Our labs are all located on the 10th floor of Lederle Tower, along with the X-ray diffraction facility. If you are looking for the home page of the UMass X-ray diffraction facility, you can find it here.. If you are looking for Karsten Theis home page, it is here, while Scott Garmans home page is here, and Jeanne Hardys is here. ...
Protein Crystallization & Crystallography Market by Technology (Ion-Exchange Chromatography, HPLC, Gel-Electrophoresis, NMR, X-Ray Crystallography), Products (Reagents & Instruments) & End-Users
The protein crystallization & crystallography market is consolidated, with the top four players, namely, Rigaku Corporation (Japan), Jena Bioscience GmbH (Germany), Hampton Research (U.S.), and Molecular Dimensions Ltd. (U.K.) together accounting for close to three-fourth of the market share; Rigaku leading the pack. The company offers intelligent and innovative analytical and industrial instrumentation technologies. Rigaku Remote, PlateMate, ACTOR, High Throughput CrystalMation, Alchemist DT, and single crystal X-ray diffraction instruments are the blockbuster products of the company. Rigaku also has easy access to all the regions worldwide as it has a well-established supply chain.. New product launches along with agreements and partnerships were the two most preferred strategies followed by the key players. Industry giants adopted these strategies to enhance their product offerings, increase their market shares, meet customers demands, and consolidate their market presence. In addition, ...
The structure was solved by the molecular replacement method, using the two independent search models for each of the domains in the CheB molecule (9, 12) (Table 1). A crystal of intact S. typhimurium CheB was used to collect a native data set to a resolution of 2.4 Å. The crystal was equilibrated in cryoprotectant solution [crystallization solution with the addition of 30% (wt/vol) ethylene glycol] for 2 hr and flash-frozen in a nitrogen gas stream (Oxford Cryosystems, Oxford, U.K.) at 100 K. Data were collected on an RAXIS-IV detector (Rigaku International, Tokyo) using mirror-focused and Ni-filtered Cu Kα radiation. Space group determination and data integration were done with denzo (13). All data were merged, scaled, and truncated with the rotavata/agrovata and truncate programs in the CCP4 suite (14). Initial phase estimates were obtained by the molecular replacement method with x-plor (15). Searches were made by using the crystal structure of the CheB C-terminal domain (residues 154-347) ...
Buerger MJ (July 1950). "Some New Functions of Interest in X-Ray Crystallography". Proceedings of the National Academy of ... He invented the X-ray precession camera for studies in crystallography. Buerger authored twelve textbooks/monographs and over ... Buerger MJ (July 1953). "An Intersection Function and Its Relations to the Minimum Function of X-Ray Crystallography". ... 1963 X-ray crystallography;: An introduction to the investigation of crystals by their diffraction of monochromatic X radiation ...
Gruner, S. M.; Eikenberry, E. F.; Tate, M. W. (2006). "Comparison of X-ray detectors". International Tables for Crystallography ... A plate based on this mechanism is called a photostimulable phosphor (PSP) plate and is one type of X-ray detector used in ... This light is produced in proportion to the number of trapped electrons, and thus in proportion to the original X-ray signal. ... CR imaging plates (IPs) can be retrofitted to existing exam rooms and used in multiple x-ray sites since IPs are processed ...
X-ray crystallography, electron microscopy). Solid-state NMR structure elucidation of proteins has traditionally been based on ... "A New Tool for NMR Crystallography: Complete 13C/15N Assignment of Organic Molecules at Natural Isotopic Abundance Using DNP- ...
Authier, Andre (2013). Early Days of X-ray Crystallography. Oxford: Oxford University Press. p. 309. ISBN 978-0199659845. ...
ISBN 978-84-7283-518-4. Bennett, Dennis W. (2010). Understanding Single-Crystal X-Ray Crystallography. Wiley-VCH. p. 689. ISBN ... ISBN 978-3-540-64335-7. Wong J, Tanaka T, Rowen M, Schafers F, Muler BR, Rek ZU (1999). "YB66 - a new soft X-ray monochromator ... X-ray powder diffraction (XRD) and electron diffraction indicated that YB50 has an orthorhombic structure with lattice ... Crystals of the specific rare-earth boride YB66 are used as X-ray monochromators for selecting X-rays with certain energies (in ...
Gair, J. R. (2003). "John H Robertson Obituary". International Union of Crystallography. Robertson, John H (1949). "X-ray ... Following this, he returned to the University of Edinburgh to work on a PhD on the X-ray structure of strychnine hydrobromide. ... In 1949 he completed his thesis, entitled X-ray Analysis of Complex Structures. He went on to do post-doctoral research at ...
Crystallography is the science that examines the arrangement of atoms in crystalline solids. Crystallography is a useful tool ... X-ray diffraction, calorimetry, nuclear microscopy (HEFIB), Rutherford backscattering, neutron diffraction, small-angle X-ray ... Crystallography Nuclear spectroscopy Surface science Tribology Condensed matter physics Mineralogy Solid-state chemistry Solid- ... ISBN 978-0-12-145761-7. Cullity, B.D. (1978). Elements of X-Ray Diffraction (2nd ed.). Reading, Massachusetts: Addison-Wesley ...
Swanson, H. E.; H. F. McMurdie; M. C. Morris; E. H. Evans (September 1970). "Standard X-ray Diffraction Powder Patterns" (PDF ... International Union of Crystallography. 17 (11): 1478. doi:10.1107/s0365110x6400367x. Morris, Marlene C; McMurdie, Howard F.; ... Swanson, H. E.; H. F. McMurdie; M. C. Morris; E. H. Evans (September 1970). "Standard X-ray Diffraction Powder Patterns" (PDF ... Swanson, H. E.; H. F. McMurdie; M. C. Morris; E. H. Evans (September 1970). "Standard X-ray Diffraction Powder Patterns" (PDF ...
This is the principle of x-ray crystallography. The incident and diffracted beams are planar wave excitations f i n ( t , x ... In crystallography, the Laue equations relate the incoming waves to the outgoing waves in the process of diffraction by a ...
The structures weresubsequently established by X-ray crystallography.. Paolo Chini (1928-1980) was a pioneer for the synthesis ... X-Ray structure analysis of [N(PPh3)2]2[Os10C(CO)24] and [Os5C(CO)14H(NC5H4)]", Journal of the Chemical Society, Dalton ...
X-ray crystallography is based on Thomson scattering. Compton scattering Kapitsa-Dirac effect Klein-Nishina formula Chen, Szu- ...
He specialised in problems of X-ray crystallography. 1936-1937 saw a change in James' personal and professional life. In the ...
She works on x-ray crystallography and chemistry education. Rossi was born Italy and moved to New York City as a child. She ... She uses X-ray crystallography to study the structure and function of molecules, particularly those with biological activity. ... She serves on the US National Committee for Crystallography and International Union of Crystallography Commission on Education ... In the early '90s Rossi drove a U-Haul containing a single crystal X-ray diffractometer from Philadelphia to Vassar College. It ...
Methaneseleninic acid has been characterized by X-ray crystallography. The configuration about the selenium atom is pyramidal, ... had been previously characterized by X-ray methods and its optical resolution reported. ten Brink, G.-J.; Fernandes, B. C. M.; ...
Bernal, John Desmond; Dorothy Crowfoot; I. Fankuchen (1940). "X-ray Crystallography and the Chemistry of the Steroids. Part I ... He was one of the founders of the International Union of Crystallography (1945). His name has mistakenly been recorded also as ... Isidor Fankuchen (July 19, 1905 - June 28, 1964) was an American pioneer of crystallography. Known to his friends as "Fan" he ... Bernal, J. D.; Fankuchen, I.; Perutz, MAX (1938). "An X-Ray Study of Chymotrypsin and Haemoglobin". Nature. 141 (3568): 523-524 ...
X-ray crystallography at the heart of life science. Current Opinion in Structural Biology. Volume 21, Issue 5, October 2011, ... For example, whereas X-ray crystallography has been successful in crystallizing approximately 80,000 cytosolic proteins, it has ...
The compound has been characterized by X-ray crystallography. The cation and anion are well separated. The average Fe-C bond ...
The structure has been confirmed by X-ray crystallography. Quantum calculations also indicate that the enol is strongly favored ...
Gallagher, Warren (2006). Lecture 7: Structure Determination by X-ray Crystallography (PDF). Chem 406: Biophysical Chemistry ( ... and for the crystalline solid state by X-ray crystallography or neutron diffraction. These technique can produce three- ... and when the crystals required by crystallography or the specific atom types that are required by NMR are unavailable to ... studies that give insight into the contributing electronic structure of molecules include cyclic voltammetry and X-ray ...
Flexibility can also be observed in very high-resolution electron density maps produced by X-ray crystallography, particularly ... "Accessing protein conformational ensembles using room-temperature X-ray crystallography". Proceedings of the National Academy ...
The enol structure has been confirmed by X-ray crystallography. Structurally related to 1,2-cyclopentanedione is 2-hydroxy-3- ...
X-ray crystallography indicates that zethrene is a planar molecule. The bond lengths in the central part of the molecule are ...
Growing crystals for X-ray crystallography can be quite difficult. For X-ray analysis, single perfect crystals are required. ...
The enol structure has been confirmed by X-ray crystallography. The compound is prepared by hydrogenation of 2-cyclopentene-1,4 ...
She did tremendous work in the field of x-ray crystallography of clay minerals. She was raised by a progressive family in a ... She earned her doctorate in x-ray crystallography of clay minerals. She received her doctorate from the University of Calcutta ... Purnima Sinha was looking for spare parts to build the X-ray equipment she needed for her doctoral research. We must remember ... She compared the X-ray structure of clay with DNA patterns, geometrically, and was fascinated to find a connection. She had ...
Crystals that are one billionth the size needed for X-ray crystallography can yield high quality data. The samples are frozen ... The methodology is like the rotation method in x-ray crystallography. This led to several improvements in data quality and ... The structure of lysozyme, a classic test protein in X-ray crystallography. Earlier in 2013, the Abrahams group independently ... MicroED data is then processed using traditional software for X-ray crystallography without the need for specialized software ...
His chief contributions are in the area of X-Ray crystallography. He was awarded the Shanti Swarup Bhatnagar award for ... Murthy, along with Professor M. Vijayan, established X-ray diffraction facility at the Molecular Biophysics Unit, which served ... His course on advanced biomolecular crystallography was very popular with students at the Indian Institute of Science. His ... He initiated structural studies on isometric viruses in India at a time when research on macromolecular protein crystallography ...
X-ray crystallography did not immediately show the precise helical structure. Franklin chose to work on A-DNA, while B-DNA was ... Her X-ray images of DNA indicated helical structure. Her X-ray image of B-DNA (called Photo 51) taken in 1952 became the best ... With her PhD student Raymond Gosling, she produced a series of X-ray images of DNA. The photograph (number 51, hence, ... Rosalind Franklin joined King's College London in January 1951 to work on the crystallography of DNA. By the end of that year, ...
These include HPLC, mass spectrometry, NMR spectroscopy, and X-ray crystallography. Although most applications of protein- ...
Ralph Walter Graystone Wyckoff (1916), pioneer inventor of X-ray crystallography. Chris Carlin (1995), sportscaster for the ...
Sekstan (ilmu falak): Sekstan pertama dibina di Ray, Iran, oleh Abu-Mahmud al-Khujandi pada 994. Ia adalah sekstan yang sanfat ... Derewenda, Zygmunt S. (2007), "On wine, chirality and crystallography", Acta Crystallographica Section A: Foundations of ... Sekstan pertama dibinakan di Ray, Iran oleh Abu-Mahmud al-Khujandi pada 994. Sekstan terawal adalah mural "Sekstan Fakhri" ... Sekumpulan pengaji berasaskan Universiti Teknikal Dresden yang menggunakan x-ray dan mikroskopi elektron untuk memeriksa steel ...
"Online dictionary of crystallography. International Union of Crystallography. 24 August 2014. Retrieved 22 September 2015.. ... Most geology departments have X-ray powder diffraction equipment to analyze the crystal structures of minerals.[8]:54-55 X-rays ... The modern study of mineralogy was founded on the principles of crystallography (the origins of geometric crystallography, ... See also: Crystallography. The crystal structure is the arrangement of atoms in a crystal. It is represented by a lattice of ...
Hodgkin used advanced techniques to crystallize proteins, allowing their structures to be elucidated by X-ray crystallography, ... Her 1947 paper, Divergent-Beam X-Ray Photography of Crystals,[23] built on earlier work to show how this nuanced technique ... Lonsdale, K. (1947). "Divergent-Beam X-Ray Photography of Crystals". Philosophical Transactions of the Royal Society A: ...
X-ray crystallography of DNA and RNA polymerases show that, other than having a Mg2+ ion at the catalytic site, they are ...
Crystallography is the science that examines the arrangement of atoms in crystalline solids. Crystallography is a useful tool ... X-ray diffraction, calorimetry, nuclear microscopy (HEFIB), Rutherford backscattering, neutron diffraction, small-angle X-ray ... Cullity, B.D. (1978). Elements of X-Ray Diffraction (2nd ed.). Reading, Massachusetts: Addison-Wesley Publishing Company. ISBN ... Giacovazzo, C; Monaco HL; Viterbo D; Scordari F; Gilli G; Zanotti G; Catti M (1992). Fundamentals of Crystallography. Oxford: ...
160 different integral membrane proteins have been determined at atomic resolution by X-ray crystallography or nuclear magnetic ...
Along with rhinovirus, poliovirus was the first animal virus to have its structure determined by x-ray crystallography. RNA ... J.Esposito and Professor Freederick A. Murphy demonstrates cleft structure referred to as canyons, using X-ray crystallography ...
X-ray crystallography studies of TBP/TATA-box complexes generally agree that the DNA goes through an ~80° bend during the ...
These often enable the user to manually dock in protein coordinates (structures from X-ray crystallography or NMR) of subunits ...
NMR has advantages over X-ray crystallography, which is the other method for high-resolution nucleic acid structure ... This comes at the cost of slightly less accurate and detailed structures than crystallography.[2] ...
The structures and actions of receptors may be studied by using biophysical methods such as X-ray crystallography, NMR, ...
Chang, Raymond (1998). Chemistry, 6th Ed. New York: McGraw Hill. ISBN 978-0-07-115221-1. .. ... Derewenda, Zygmunt S.; Derewenda, ZS (2007). "On wine, chirality and crystallography". Acta Crystallographica Section A. 64 (Pt ... Levi, Primo The Periodic Table (Penguin Books) [1975] translated from the Italian by Raymond Rosenthal (1984) ISBN 978-0-14- ... Chang, Raymond. Chemistry 6th ed. Boston: James M. Smith, 1998. ISBN 0-07-115221-0. ...
Best known for pioneering X-ray crystallography in molecular biology.[28]. *Marcellin Berthelot (1827-1907): French chemist and ... We could provide a long list, including...Raymond B. Cattell..." *^ Andrew Brown (1997). The neutron and the bomb: a biography ... Ray Monk (2013). Robert Oppenheimer: A Life Inside the Center. Random House LLC. ISBN 9780385504133. In many ways they were ... R. S. Cohen; Raymond J. Seeger (1975). Ernst Mach, Physicist and Philosopher. Springer. p. 158. ISBN 978-90-277-0016-2. And ...
... the first structure of the proteasome core particle was not solved by X-ray crystallography until 1994.[14] ...
In other cases, minerals can only be classified by more complex optical, chemical or X-ray diffraction analysis; these methods ... As cleavage is a function of crystallography, there are a variety of cleavage types. Cleavage occurs typically in either one, ... Recent advances in high-resolution genetics and X-ray absorption spectroscopy are providing revelations on the biogeochemical ... the underlying crystal structure is always periodic and can be determined by X-ray diffraction.[9] Minerals are typically ...
It is relatively commonplace to study fossils using X-ray microtomography[15] A combination of paleontology, biology, and ...
Zinc mediated dimer of human interferon-alpha 2b revealed by X-ray crystallography. Structure. 1996 Dec 15;4(12):1453-63. PMID ...
December 2010). "Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography". Nature. 468 (7324 ...
Bradley, Raymond S. (1985). Quaternary paleoclimatology: methods of paleoclimatic reconstruction. Boston: Allen & Unwin. ISBN ...
X-ray crystallography. *Interventional Radiology. References[change , change source]. *↑ "RTAB: the Rayleigh scattering ... A computed tomography scanner combines an X-ray machine and computer to construct a three dimensional (3D) picture. This has ... Sometimes the term "X-Ray" means these pictures instead of the radiation that makes them. ... than the X-ray is called Gamma radiation (γ-rays). These are all parts of the electromagnetic spectrum. ...
In 1920, shortly after it had become possible to determine the sizes of atoms using X-ray crystallography, it was suggested ...
... with a specialty in X-ray crystallography. Gale had been pursuing his doctorate in Colorado under an NSF grant but realized ... Tuco Salamanca (played by Raymond Cruz) is a Mexican drug kingpin, and nephew to Hector. He is unpredictable and prone to ... Tyrus Kitt (played by Ray Campbell) is one of Gus's henchmen. After Victor is killed, Gus promotes him to serve as Mike's ...
This protein was the first to have its structure solved by X-ray crystallography. Towards the right-center among the coils, a ... Common experimental methods include X-ray crystallography and NMR spectroscopy, both of which can produce structural ... In particular, globular proteins are comparatively easy to crystallize in preparation for X-ray crystallography. Membrane ... X-ray crystallography, nuclear magnetic resonance and mass spectrometry. ...
Optics and crystallography[edit]. CLSM is used as the data retrieval mechanism in some 3D optical data storage systems and has ... Confocal X-ray fluorescence imaging is a newer technique that allows control over depth, in addition to horizontal and vertical ... The signal was visualized by a CRT of an oscilloscope, the cathode ray was moved simultaneously with the objective. A special ... "Confocal X-ray Fluorescence Imaging and XRF Tomography for Three Dimensional Trace Element Microanalysis". Microscopy and ...
In 1959, Max Perutz determined the molecular structure of hemoglobin by X-ray crystallography.[21][22] This work resulted in ... X-ray Absorption Near Edge Structures at the iron K-edge. The energy shift of 5 eV between deoxyhemoglobin and oxyhemoglobin, ... "A NASA Recipe For Protein Crystallography" (PDF). Educational Brief. National Aeronautics and Space Administration. Archived ... X-ray photoelectron spectroscopy suggests iron has an oxidation state of approximately 3.2. ...
In 1959, by use of X-ray crystallography, Dr. Max Perutz was able to unravel the structure of hemoglobin, the red blood cell ...
"International Union of CRYSTALLOGRAPHY. International Union of CRYSTALLOGRAPHY.. *^ Max von Laue Biography - University of ... Ewald, P. P. (ed.) 50 Years of X-Ray Diffraction (Reprinted in pdf format for the IUCr XVIII Congress, Glasgow, Scotland, ... Nobel Lecture Address - Max von Laue Concerning the Detection of X-ray Interferences, 12 November 1915 ... In addition to his scientific endeavors with contributions in optics, crystallography, quantum theory, superconductivity, and ...
The studies have culminated in the determination of the 3D structure of the avidin-biotin complex by X-ray crystallography,[13] ...
in crystallography in 1945 from the same institution. He was a doctoral student at Cambridge University from 1947-49, and while ... Although he was mainly working on particle physics, Cormack's side interest in x-ray technology led him to develop the ... for his work on X-ray computed tomography (CT). ...
... and he began to work on the X-ray crystallography of proteins.[27] X-ray crystallography theoretically offered the opportunity ... Crick taught himself the mathematical theory of X-ray crystallography.[28] During the period of Crick's study of X-ray ... David Harker, the American X-ray crystallographer, was described as "the John Wayne of crystallography" by Vittorio Luzzati, a ... Using "Photo 51" (the X-ray diffraction results of Rosalind Franklin and her graduate student Raymond Gosling of King's College ...
... the X-ray crystallography newsletter from Rigaku Oxford ... New Edition of Crystallography Times Offering Current X-Ray ... New edition of Crystallography Times offering current X-ray crystallography news is available onlinePress Release: New edition ... The latest edition of Crystallography Times, the X-ray crystallography newsletter from Rigaku Oxford Diffraction, is now ... of Crystallography Times offering current X-ray crystallography news is available online. Rigaku XtaLAB Synergy-Custom X-ray ...
... crystallography in art and cultural heritage crystallography of materials electron crystallography high pressure inorganic and ... crystallography in art and cultural heritage crystallography of materials electron crystallography high pressure inorganic and ... Home , calendar , events , Meetings , Microscopy , Integrating X-ray crystallography and scattering with electron microscopy ... aspects early history journals history extension previous executive committees photos of crystallographers 50 years of x-ray ...
Post-doctoral Positions in X-ray Crystallography and Computational Biology. Duilio Cascio cascio at Mon Mar 13 12:28: ... Post-doctoral Positions in X-ray Crystallography and Computational Biology Two post-doctoral positions are available ... The second position is in the area of computational crystallography, but may also include other aspects of computational ... Applicants for the first position should be experienced in practical aspects of protein crystallography and structure ...
One camera views the crystal from 35° below the X-ray path and is used for centering the crystal to the X-ray beam. This camera ... Single-crystal Raman spectroscopy and X-ray crystallography at beamline X26-C of the NSLS. ... Non-resonant Raman spectroscopy has already been used to follow X-ray damage in brominated DNA (McGeehan et al., 2007. ). ... Copyright © International Union of Crystallography. Home Contact us Site index About us Partners and site credits Help Terms of ...
... crystallography in art and cultural heritage crystallography of materials electron crystallography high pressure inorganic and ... crystallography in art and cultural heritage crystallography of materials electron crystallography high pressure inorganic and ... Fourth Crystallographic School "Structural Analysis using Single-Crystal X-ray Diffraction Data: Crystallography under Applied ... aspects early history journals history extension previous executive committees photos of crystallographers 50 years of x-ray ...
Creative Biolabs offers high-throughput X-ray crystallography or Protein crystallography services for protein-protein ... Protein-Protein Interaction Assay by X-ray Crystallography Service. Protein-Protein Interaction Assay by X-ray Crystallography ... X-ray crystallography is essentially a form of extreme high-resolution microscopy and represents the fact that X-ray is ... Elastic types of X-ray techniques in various applications, such as single-crystal X-ray diffraction, small-angle X-ray ...
Structural Biochemistry/X-ray Crystallography. , Structural Biochemistry. This page may need to be reviewed for quality. ... Therefore X-ray crystallography is a powerful tool that biochemist and scientists can use to discover new drugs that can ... X-ray crystallography is a technique used by biochemist to determine the three dimensional structure of an enzyme, protein, ... For example, scientists used x-ray crystallography to determine the structure of the COX enzyme that is responsible for ...
9780387333342 Our cheapest price for Principles of Protein X-Ray Crystallography is $77.18. Free shipping on all orders over $ ... X-ray crystallography has long been a vital method for studying the structure of proteins and other macromolecules. As the ... Principles of Protein X-Ray Crystallography. by Drenth, Jan; Mesters, Jeroen (CON) *ISBN13: 9780387333342. ... Principles of Protein X-ray Crystallography provides the theoretical background necessary to understand how the structure of ...
Creative Biostructure Introduces X-ray Crystallography Platform for Structural Biology Projects. Print This Article Share it ... X-ray crystallography is one of the most favored techniques for the determination of the atomic structure of proteins, nucleic ... Creative Biostructure Introduces X-ray Crystallography Platform for Structural Biology Projects. Back To Homepage Subscribe To ... recently built X-ray Crystallography Platform to provide support to customers from both industry and academia for their ...
X-ray crystallography has long been a vital method for studying the structure of proteins and other macromolecules. As the ... Biophysics Crystallography SAD X-ray X-ray diffraction biochemistry crystal growth crystal twinning protein proteins scattering ... X-ray crystallography has long been a vital method for studying the structure of proteins and other macromolecules. As the ... Principles of Protein X-ray Crystallography provides the theoretical background necessary to understand how the structure of ...
Schmidt K. (1995) X-ray crystallography at extremely low temperatures. Biotechnology (N. Y.) 13, 133.CrossRefGoogle Scholar ... Schlichting I. (2005) X-Ray Crystallography of Protein-Ligand Interactions. In: Ulrich Nienhaus G. (eds) Protein-Ligand ... Schlichting I. and Goody R. (1997) Triggering methods in kinetic crystallography. Methods in Enzymology 277, 467-490.PubMed ... Schmidt K. (1989) Time-resolved macromolecular crystallography. Annu. Rev. Biophys. Biophys. Chem. 18, 309-332.CrossRefGoogle ...
Tutorial-like scientific monograph on X-ray diffraction analysis Summarizes the complete knowledge on X-Ray diffraction ... X-Ray Diffraction Crystallography. Book Subtitle. Introduction, Examples and Solved Problems. Authors. * Yoshio Waseda ... X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials ... X-Ray Diffraction Crystallography. Introduction, Examples and Solved Problems. Authors: Waseda, Yoshio, Matsubara, Eiichiro, ...
London-based photographer Max Alexander has shed light on a technique known as X-ray crystallography in an exhibition being ... The new exhibition aims to highlight the structures, people and processes involved in X-ray crystallography ... London-based photographer Max Alexander has shed light on a technique known as X-ray crystallography ... WHAT IS CRYSTALLOGRAPHY? Crystallography is the study of atomic and molecular structure. ...
X-ray crystallography can be a key tool for elucidating the structural basis of protein motions that play critical roles in ... Measuring and modeling diffuse scattering in protein X-ray crystallography. Andrew H. Van Benschoten, Lin Liu, Ana Gonzalez, ... 1994) Dynamic structure of human lysozyme derived from X-ray crystallography: Normal mode refinement. Biophys Chem 50(1-2):25- ... Measuring and modeling diffuse scattering in protein X-ray crystallography Message Subject (Your Name) has sent you a message ...
Accessing protein conformational ensembles using room-temperature X-ray crystallography. James S. Fraser, Henry van den Bedem, ... Accessing protein conformational ensembles using room-temperature X-ray crystallography. James S. Fraser, Henry van den Bedem, ... Accessing protein conformational ensembles using room-temperature X-ray crystallography. James S. Fraser, Henry van den Bedem, ... Accessing protein conformational ensembles using room-temperature X-ray crystallography Message Subject (Your Name) has sent ...
The Biomolecular X-ray crystallography group, headed by Assistant Prof. Albert Guskov, is embedded in the GBB Institute and ... In their research the group uses the combination of macromolecular crystallography and cryo-electron microscopy as well as ... Additionally the group has an interest in macromolecular crystallization and serial crystallography techniques. ... Biomolecular X-ray Crystallography Group * Biomolecular X-ray Crystallography Group * Group members ...
Dubach, V. R. A., & Guskov, A. (2020). The Resolution in X-ray Crystallography and Single-Particle Cryogenic Electron ... Biomolecular X-ray Crystallography Group * Biomolecular X-ray Crystallography Group * Group members ...
Search Funded PhD Projects, Programs & Scholarships in X-Ray Crystallography. Search for PhD funding, scholarships & ... We have 28 X-Ray Crystallography PhD Projects, Programs & Scholarships. * Keywords:. x-ray AND crystallography × ... Development of a neutron macromolecular crystallography (NMX) refinement software module and its implementation in the Refmac5 ... X-Ray Crystallography PhD Projects, Programs & Scholarships. ...
Germany is updating its x-ray crystallography facility with Rigaku protein crystallography and au ... Germany is updating its x-ray crystallography facility with Rigaku protein crystallography and automated crystallization ... crystallography. The analysis of the atomic structures within crystals by means of x-ray diffraction.. photonics. The ... x-ray crystallography. The study of the arrangement of atoms in a crystal by means of x-rays.. ...
Here we demonstrate by X-ray crystallography of the ATPase in E2·MgF4(2-)·2K(+), a state analogous to E2·Pi·2K(+), combined ... Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.. Ogawa, H., Cornelius, F., ... Kinetics by X-ray crystallography: E2.MgF42-.2RB+ crystal. *DOI: 10.2210/pdb5AW8/pdb ...
Structure of Hep E Decoded Through X-ray Crystallography. July 23rd, 2009 Medgadget Editors News ... Taos [Yizhi Jane Tao, assistant professor of biochemistry and cell biology] lab specializes in X-ray crystallography, a ...
Home , News , Picosecond X-ray Crystallography of a Protein. July 17th, 2003 Picosecond X-ray Crystallography of a Protein. ... Picosecond x-ray crystallography of a protein has been demonstrated for the first time, by a multinational collaboration ...
The main goal of X-ray crystallography is to determine the density of electrons f(r) throughout the crystal. To do this, X-ray ... The oldest and most precise method of X-ray crystallography is single-crystal X-ray diffraction, in which a beam of X-rays is ... The term "X-ray crystallography" is also sometimes applied to methods that involve X-ray diffraction from polycrystalline ... Further information: [[:X-ray scattering techniques]]. Elastic vs. inelastic scattering. X-ray crystallography is a form of ...
Capsid conformational sampling in HK97 maturation visualized by X-ray crystallography and cryo-EM.. Gan L1, Speir JA, Conway JF ... Here, we use X-ray crystallography and cryo-EM to demonstrate that in the final transition in maturation (requiring neutral pH ...
tags: x-ray crystallography x neuroscience x The Scientist. » x-ray crystallography and neuroscience ...
Principles of Protein X-Ray Crystallography has 5 available editions to buy at Alibris ... Principles of Protein X-Ray Crystallography by Jan Drenth starting at $7.48. ... X-ray crystallography has been a vital method for studying the structure of proteins and other macromolecules for many years. ... X-ray crystallography has been a vital method for studying the structure of proteins and other macromolecules for many years. ...
A new tool is introduced for screening macromolecular X-ray crystallography diffraction images produced at an X-ray free- ... A new tool is introduced for screening macromolecular X-ray crystallography diffraction images produced at an X-ray free- ... Thermolysin, Photosystem II, Hydrogenase, Cyclophilin A; XFEL; X-ray Free-electorn Lasers; Serial Femtosecond Crystallography; ... A convolutional neural network-based screening tool for X-ray serial crystallography. United States: N. p., Web. doi:10.11577/ ...
tags: x-ray crystallography x developmental biology x The Scientist. » x-ray crystallography and developmental biology ...
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I have read up on x-ray crystallography but cant see why it would be different for the transmembrabe portion. I think it could ... X Ray crystallography & transmembrane proteins. Discussion of all aspects of biological molecules, biochemical processes and ... The crystallization of membrane proteins in toto is one of the "holy grails" of crystallography. There is no general way to do ... You should think aboout how X ray cristallographt woks. Read about how the cristal are obtained and what they should be and you ...
5FNL: Native State Mass Spectrometry, Surface Plasmon Resonance And X-ray Crystallography Correlate Strongly As A Fragment ...
A new paper reviews and analyzes the rapid development of brilliant X-ray sources that scientists worldwide have used for a ... Beyond crystallography: Diffractive imaging using coherent x-ray light sources. (Nanowerk News) In 1999, UCLA professor John ... The achievement was extremely significant because although X-ray crystallography had long allowed scientists to determine the ... Diffractive imaging using coherent x-ray light sources) reviews and analyzes the rapid development of brilliant X-ray sources ...
The Small Molecule X-ray Crystallography Facility (a.k.a. CheXray) is a full service and user facility. We can provide you with ... The facility currently houses three state-of-the-art single crystal X-ray diffractometers and one state-of-the-art powder X-ray ... Typically, X-ray diffraction is used to determine the solid-state molecular structure at the atomic level of crystalline ... all services related to the X-ray diffraction of single crystals and powders of small molecule compounds. ...
Protein-crystallography] Open position at Roche in the X-Ray Crystallography group (Nutley, NJ site). Fais, Randi via xtal-log% ... Consequently, we have a very active and productive X-ray crystallography group within Discovery Chemisty. We are seeking a ... Experience with such systems in a crystallography lab setting is a plus. The ideal candidate will also have experience in ... Next message: [Protein-crystallography] The BNL-Biology and NSLS Course on Synchrotron Data Collection: Please Apply ...
X-Ray Crystallography provides a succinct account of the technique of X-ray crystallography for determining structure in the ... 1. Fundamentals of X-ray crystallography. 2. X-ray crystallography in practice. 3. X-ray crystallography case studies. 4. ... X-Ray Crystallography provides a succinct account of the technique of X-ray crystallography for determining structure in the ... X-Ray Crystallography. Second Edition. William Clegg. Oxford Chemistry Primers. *Examples and applications presented throughout ...
Publications about Experts and Doctors on x ray crystallography in Toronto, Ontario, Canada ... Experts and Doctors on x ray crystallography in Toronto, Ontario, Canada. Summary. Locale: Toronto, Ontario, Canada ... You are here: Locale , Canada , Ontario , Experts and Doctors on x ray crystallography in Toronto, Ontario, Canada ... Quantifying the advantages of studying orthologous proteins and of using both NMR and X-ray crystallography approaches. ...
  • Beamline X26-C at the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory (BNL), provides researchers with the opportunity to not only determine the atomic structure of their samples but also to explore the electronic and vibrational characteristics of the sample before, during and after X-ray diffraction data collection. (
  • Plans are in place to further expand the capabilities at beamline X26-C and to develop beamlines at NSLS-II, currently under construction at BNL, which will provide users access to a wide array of complementary spectroscopic methods in addition to high-quality X-ray diffraction data. (
  • These macromolecules usually exhibit a characteristic optical absorption spectrum that often changes during catalysis and/or during X-ray diffraction data collection. (
  • Middle: The protein crystal soaked with a fragment is positioned into an X-ray beam and the diffraction data is collected. (
  • To conduct concurrent studies utilizing both crystallographic and spectroscopic methods, an integrated infrastructure is required at the X-ray beamline. (
  • Beamline X26-C is currently capable of following changes in the visible absorption spectrum and in the vibrational spectrum via Raman spectroscopy as a function of X-ray exposure. (
  • The facility at beamline X26-C at NSLS supports correlated X-ray diffraction and spectroscopic analysis of macromolecules, utilizing specifically visible absorption spectroscopy and Raman vibrational spectroscopy, each at a 90° orientation to the X-ray beam. (
  • Creative Biolabs currently pushes out X-ray crystallography with rational designs, facilities, and expertise to assist scientists to crystallize biological macromolecules and determine their three-dimensional structures. (
  • The Protein Crystallography Core Facility assists investigators in the determination of the 3-D structure of biological macromolecules and their complexes. (
  • X-ray crystallography is the major method for structure determination of macromolecules. (
  • Crystallography can reliably provide the answer to structure related questions, from global folds to atomic details of bonding and the information from X-ray diffraction has enhanced the availability of protein structures and development on medicinal chemistry design greatly. (
  • The Macromolecular Crystallography Laboratory is located at the Chemistry Department of the Faculty of Sciences and Technology , Universidade NOVA de Lisboa . (
  • A group of crystallography researchers from the Biochemistry, Pathology and Chemistry Departments has recently won funds to purchase a piece of equipment which significantly enhances the X-ray crystallography facility in the Biochemistry Department. (
  • This cross-departmental representation reflects the wide use made of the Biochemistry Department's crystallography facility, with around 30 users coming from the Chemistry, Physiology, Pharmacology, Pathology, and Physics Departments. (
  • Three-dimensional structures derived from X-ray diffraction of protein crystals provide a wealth of information. (
  • About 85% of all known structures deposited in the Protein Data Bank have been determined by X-ray crystallography. (
  • By integrating high-resolution X-ray structures with functional studies and computational analyses we have been able to elucidate key features that determine high-fidelity DNA replication. (
  • Experimental phasing is an essential technique in determining the three-dimensional protein structures using single-crystal X-ray diffraction. (
  • Availability of in-house lab data collection sources (Cu Kα and Cr Kα radiation), cryo-crystallography and improved software for heavy atom location and density modification have increased the ability to solve protein structures using SAD. (
  • This analysis also proves that even the anomalous signal provided or present naturally in a macromolecule is good enough to solve crystal structures successfully using lab source chromium-generated X-ray radiation. (
  • Availability of synchrotron radiation, cryo-crystallography and improved software for heavy atom location and density modification have increased the ability to solve protein structures using SAD. (
  • Lately, a model of the protein is constructed, adjusted and refined by the electron density maps and X-ray diffraction patterns. (
  • Certainly a formal or semi-formal link with the solid-state NMR community is desirable'.Price: $ The authors point to potential new insights being achievable by combining electron and X-ray crystallography methods. (
  • InTech,pages, ISBN: This book is a collection of works showcasing some of the most recent developments in the field of advent of X-ray diffraction in the early twentieth century transformed crystallography from an area of scientific inquiry largely limited to physics, mineralogy, and mathematics, to a highly. (
  • X-ray crystallography is a technique used by biochemist to determine the three dimensional structure of an enzyme, protein, molecule, etc. (
  • For example, scientists used x-ray crystallography to determine the structure of the COX enzyme that is responsible for arthritis. (
  • The book then offers a projection of crystal structure analysis in the next years and concludes by emphasizing the societal impacts of crystallography that allow for sustainability of life. (
  • Perspectives in Crystallography offers a threefold look into the past, present and long-term development and relevance of crystal structure analysis. (
  • One of the beauties of x-ray crystallography is the internal self-consistent confirmation of the result of an x-ray crystal structure determination. (
  • X-ray crystal structure determinations are today used (increasing required by journals) as essentially absolute proof of the molecular structure of a new compound. (
  • We have used X-ray crystallography, associated to other biophysical methods, to study big molecular assemblies that function like nanomachines. (
  • In the absence of synchrotron radiation, SAD method using rotating anode generator (Cu Kα and Cr Kα) lab source data is mostly used to solve the phase problem in X-ray crystallography. (
  • The use of chromium-anode X-ray radiation is very useful for SAD experiments. (
  • He commented that during the Erice School he "got to know about different research areas, ideas & opportunities in high pressure crystallography as well as enjoying healthy conversations and discussion with lecturers and experts. (
  • In addition to high quality equipment, the X-ray facility relies on the support of the Facilities Manager, Dr Ed Lowe. (
  • X-ray diffraction, cryo-EM and SAXS data have been crucial to characterize protein modular systems, like cellulosomes. (
  • Furthermore, glycans are molecules involved in many recognition and communication processes at the cellular and molecular levels and X-ray data, associated to Glycan Microarrays information, allows to "view" molecular interactions with atomic detail, which is helpful to understand how different molecules behave and recognize partners in the cellular environment. (
  • I don't know anything about crystallography except that James Watson didn't think his colleague had good fashion sense , but I can respect the general idea of hard-to-replicate results, as these arise all the time in observational social science, where you can't just spin the wheel and get data on N more elections, or recessions, or wars, or whatever. (
  • What strikes me immediately about the difference between this experiment and the deconstruction of elections is that in both cases you can't replicate but in the former you have clean data (the crystal) and a universally trusted way to analyze the data (x-ray crystallography) that has its own history of many successful replications with essentially no failures. (
  • Therefore X-ray crystallography is a powerful tool that biochemist and scientists can use to discover new drugs that can prevent certain enzymes from activating. (
  • Here we describe time resolved experiments on PSII nano/microcrystals from Thermosynechococcus elongatus performed with the recently developed technique of serial femtosecond crystallography. (
  • This work shows the great potential for time-resolved serial femtosecond crystallography for investigation of catalytic processes in biomolecules. (
  • Here we present a technique for extruding gel-like LCP with embedded membrane protein microcrystals, providing a continuously renewed source of material for serial femtosecond crystallography. (
  • Researchers from the Moscow Institute of Physics and Technology have published a review on serial femtosecond crystallography, one of the most promising methods for analyzing the tertiary structure of proteins. (
  • This free-stream technology, which was originally developed for serial femtosecond crystallography at X-ray free-electron lasers, is here adapted to serial crystallography at synchrotrons. (
  • Related Information: High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography, S?bastien Boutet et al. (
  • Serial femtosecond crystallography based on X-ray free-electron laser sources (XFELs) provides new opportunities for structural sciences, in particular for the time-resolved investigation of dynamic processes [1-3]. (
  • The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. (
  • We have measured 3D diffuse intensities in X-ray diffraction from CypA and trypsin crystals using standard crystallographic data collection techniques. (
  • By slowing radiation damage to the sample, crystal cooling has catalyzed a revolution in structural biology, enabling structure determinations from tiny crystals using bright synchrotron X-ray sources ( 2 - 4 ). (
  • Some investigators have suggested that the standard practice of plunging crystals into liquid nitrogen and collecting X-ray diffraction data at 100 K traps a representative set of conformations populated at room temperature ( 6 , 7 ). (
  • The analysis of the atomic structures within crystals by means of x-ray diffraction. (
  • A wide variety of materials can form crystals - such as salts , metals , minerals , semiconductors , as well as various inorganic, organic and biological molecules - which has made X-ray crystallography fundamental to many scientific fields. (
  • For single crystals of sufficient purity and regularity, X-ray diffraction data can determine the mean chemical bond lengths and angles to within a few thousandths of an Ångström and to within a few tenths of a degree , respectively. (
  • The term "X-ray crystallography" is also sometimes applied to methods that involve X-ray diffraction from polycrystalline materials, such as powders of small crystals studied by X-ray powder diffraction . (
  • We can provide you with all services related to the X-ray diffraction of single crystals and powders of small molecule compounds. (
  • Three-dimensional structures derived from X-ray diffraction of protein crystals provide a wealth of information. (
  • On the other hand, the unknown partiality of reflections arising from still exposures of crystals in random orientations with narrow bandwidth X-ray pulses complicates the extraction of full Bragg peak intensities that are necessary for protein structure determination. (
  • In this proof of principle experiment, X-ray pulses with approximately 2.5% bandwidth (see Figure 1) were used to record diffraction images from model protein crystals. (
  • Since X-ray crystallography is the foremost method to acquire atomic resolution for macromolecules, the limiting step is obtaining protein crystals that can be useful of structure determination. (
  • Serial protein crystallography has emerged as a powerful method of data collection on small crystals from challenging targets, such as membrane proteins. (
  • Determination of the internal structure of crystals by using X-rays is called X-ray crystallography. (
  • [7] The highest resolution protein structure solved by electron crystallography of 2D crystals is that of the water channel aquaporin -0. (
  • [8] In 2013 electron crystallography was extended to 3D crystals by a new method called microcrystal electron diffraction, or MicroED. (
  • x-ray crystallography the determination of the three-dimensional structure of molecules by means of diffraction patterns produced by x-rays of crystals of the molecules. (
  • MiTeGen's In Situ-1[TM] crystallization plate (an SBS standard, 96-well microplate) enables X-ray crystallography researchers, who study the atomic-level structures of biological samples, to easily grow, transport and screen crystals of their targets. (
  • Ultimately, the achievable resolution for well-ordered small crystals is limited by radiation damage 13 that poses an inherent problem for all conventional X-ray-based methods of structure determination. (
  • Before the development of X-ray diffraction crystallography (see below), the study of crystals was based on their geometry. (
  • X-ray crystallography produces good results for crystals that are large, stable, and homogeneous -- that is, with no impurities or structural defects. (
  • But membrane proteins, many receptors among them, form crystals that are not large and pure enough for standard X-ray crystallography. (
  • Here, the use of a slowly flowing microscopic stream for crystal delivery is demonstrated, resulting in extremely high-throughput delivery of crystals into the X-ray beam. (
  • By embedding the crystals in a high-viscosity carrier stream, high-resolution room-temperature studies can be conducted at atmospheric pressure using the unattenuated X-ray beam, thus permitting the analysis of small or weakly scattering crystals. (
  • Some materials studied using crystallography, proteins for example, do not occur naturally as crystals. (
  • With the extremely bright flashes of X-ray free-electron lasers, even those micro crystals can be analysed, but usually thousands of diffraction patterns are needed to solve the protein structure. (
  • Since the delicate micro crystals are completely vaporised by the intense X-ray flash after delivering their diffraction pattern, a stream of fresh micro crystals is sent through the laser beam. (
  • Still, even those micro-crystals are hard to obtain, and only a fraction are actually hit by the X-ray flash, depending on the geometry of the crystal stream and the technical parameters of the X-ray laser. (
  • Usually, the protein crystals are injected with some carrier liquid buffer into the X-ray beam using a special nozzle. (
  • Also, the fine, stable stream of nano crystals can be kept precisely overlapping with the small beam of the X-ray laser. (
  • In addition the reduction in overall flow-rate enhances the quality of the diffraction patterns and the rate at which crystals are actually hit by the X-ray flashes. (
  • The Protein Crystallography Lab offers users a unique capability to perform room- and cryogenic X-ray diffraction data collection from biomacromolecular crystals, data analysis and visualization. (
  • Principles of Protein X-ray Crystallography provides the theoretical background necessary to understand how the structure of proteins is determined at atomic resolution. (
  • The platform integrates, among other things, protein X-ray crystallography , structural biology, biochemical, and NMR based fragment screening in combination with its high-quality fragment libraries. (
  • The Biomolecular X-ray crystallography group, headed by Assistant Prof. Albert Guskov, is embedded in the GBB Institute and together with the Electron Microscopy group headed by Assistant Prof. Cristina Paulino constitutes the Structural Biology unit of GBB. (
  • Hajdu J. and Andersson I. (1993) Fast crystallography and time-resolved structures. (
  • Modern protein crystal structures are based nearly exclusively on X-ray data collected at cryogenic temperatures (generally 100 K). The cooling process is thought to introduce little bias in the functional interpretation of structural results, because cryogenic temperatures minimally perturb the overall protein backbone fold. (
  • Single crystal X-Ray diffraction is a leading technique for the determination of molecular and crystal structures and for obtaining. (
  • Since SwissFEL operates with C-Band RF-structures, the wakefields are stronger than those at LCLS and European XFEL, maximizing the achievable chirp to over 2 percent, which results in over 4% bandwidth of the X-ray pulses. (
  • These fast X-ray-induced changes are of particular relevance to the structural enzymology community, who seek to probe enzyme function and mechanism through the structures of trapped intermediates. (
  • We outline a complete strategy to determine the structures and configurations ( M or P helices) of the enantiomers (helices) forming the conglomerates of these perfluorinated 1 H -indazoles based on X-ray crystallography, solid state NMR spectroscopy and different solid state vibrational spectroscopies that are either sensitive (VCD) or not (FarIR, IR and Raman) to chirality, together with quantum chemical calculations (DFT). (
  • X-Ray Crystallography is the study of crystal structures, when an X-ray beam bombards them. (
  • I should not like to leave an impression that all structural problems can be settled by X-ray analysis or that all crystal structures are easy to solve. (
  • Scientists in the Special Projects Group at NYSBC have determined X-ray crystal structures of the G119S mutant acetylcholinesterase (G119S AgAChE) of the malaria mosquito Anopheles gambiae . (
  • Creative Biolabs currently pushes out X-ray crystallography with rational designs, facilities, and expertise to assist scientists to crystallize biological macromolecules and determine their three-dimensional structures. (
  • Crystallography can reliably provide the answer to structure related questions, from global folds to atomic details of bonding and the information from X-ray diffraction has enhanced the availability of protein structures and development on medicinal chemistry design greatly. (
  • In contrast, operating an x-ray diffractometer is routine, and far more than a million structures solved by x-ray diffraction have been published. (
  • We have determined new X-ray crystal structures of apo- and DNA bound P. furiosus Mre11 that reveal how dimeric Mre11 directly tethers DNA ends. (
  • To further clarify architectural and enzymatic functions of the Mre11/Rad50 core complex and understand mechanisms of chemo-mechanical communication between Mre11 and Rad50, we have analyzed crystal structures of Rad50 bound to a minimal Mre11 fragment, and dissected structural determinants of MR complex quaternary assembly in solution using Small angle X-ray Scattering (SAXS). (
  • SAXS and X-ray structures suggest the Mre11 2 Rad50 2 core DNA binding head assembles as two juxtaposed half-rings, with dimeric Mre11 wrapped by the two Rad50 coiled-coils, and the Rad50 ATPase domains capping the opposite end of the ring. (
  • A book of interest to all researchers working with inorganic crystal structures, by one of the best young scientists in the fields of mineralogical crystallography and descriptive mineralogy. (
  • Exploration of fundamentals of x-ray diffraction theory using Fourier transforms applies general results to various atomic structures, amorphous bodies, crys. (
  • 10.1038/35090602 ), "They did a remarkably good job of fitting everything together," given that X-ray structures were all calculated by hand back then. (
  • Find out more information about our data policy and the experimental data you should include for the characterisation of new compounds, X-ray crystallography and macromolecular structures. (
  • This will require increased throughput from conventional X-ray crystallography facilities, and new, state-of-the-art synchrotron facilities to accelerate structure determination and to allow the study of increasingly large and complex structures and macromolecular assemblies. (
  • X-ray crystallography is the prime tool to solve protein structures. (
  • In addition, the structures of compound 1 , its synthetic precursor bis[1′-(diphenylphosphino)ferrocenyl]methanone ( 3 ), and all aforementioned Pd(II) and Au(I) complexes were determined by single-crystal X-ray diffraction analysis (some in solvated form). (
  • Cryoelectron microscopy is a variant at temperatures at or below that of liquid nitrogen and can visualize protein structures at very high resolution, though is less than that of methods like NMR spectroscopy or crystallography. (
  • Three dimensional atomic structures of small molecules may be unambiguously determined by employing the technique of single crystal X-ray diffraction. (
  • In conventional X-ray crystallography, a protein crystal is rotated in the X-ray beam to produce diffraction patterns for various spatial orientations. (
  • Conventional X-ray crystallography involves exposing one crystal to radiation from various angles and analyzing the resulting diffraction patterns collectively. (
  • In conventional X-ray crystallography, simply choosing the largest and highest-quality crystal was the way to go. (
  • The purpose of macromolecular X-ray crystallography is to obtain a 3-dimensional model (PDB) of a protein structure. (
  • The achievement was extremely significant because although X-ray crystallography had long allowed scientists to determine the atomic structure of a wide variety of molecules, including DNA, it does not work for noncrystalline materials used in a variety of disciplines, including physics, chemistry, materials science, nanoscience, geology and biology. (
  • In 'X-ray Analysis of Complicated Molecules', Nobel Lecture (11 Dec 1964). (
  • However, owing to the random orientation of dissolved or partially ordered molecules, the spatial averaging leads to a loss of information in SAXS compared to crystallography. (
  • Sometimes referred to as small molecule crystallography, this technique employs single crystal X-ray diffraction (SXRD) to unambiguously determine the three dimensional structure of molecules. (
  • However, small angle X-ray scattering (SAXS) studies indicate that this dimerization does not occur in solution. (
  • Small-angle X-ray scattering (SAXS) is a small-angle scattering technique by which nanoscale density differences in a sample can be quantified. (
  • USAXS (ultra-small angle X-ray scattering) can resolve even larger dimensions, as the smaller the recorded angle, the larger the object dimensions that are probed. (
  • The laboratory also houses a Rigaku BioSAXS-2000 small-angle X-ray scattering instrument equipped with an automated sample changer to perform small-angle X-ray scattering experiments by users of the SANS beamlines and the SNS and HFIR. (
  • Crystallography experiments carried out on these blades helps to understand how their performance is affected by the materials used in the manufacturing process. (
  • Macromolecular X-ray crystallographic diffraction experiments provide powerful insights into the relationship between structure and biological function. (
  • At its most basic level, X-ray crystallography is useful in identifying known materials, characterizing new materials and in discerning materials that appear similar by other experiments. (
  • The Coherent X-ray Imaging Data Bank (CXIDB) is a new database which offers scientists from all over the world a unique opportunity to access data from Coherent X-ray Imaging (CXI) experiments. (
  • CXIDB is dedicated to further the goal of making data from Coherent X-ray Imaging (CXI) experiments available to all, as well as archiving it. (
  • In serial femtosecond protein crystallography (SFX) experiments, small bandwidth and low energy jitter of the X-ray pulses is desired to minimize the influence of random errors on data quality. (
  • These X-ray pulses have similar properties to normal SASE pulses, including number of photons and pulse duration, allowing them to be used interchangeably with SASE mode for SFX experiments. (
  • The molecular structure and intermolecular interactions of N-(p-toluenesulfonyl)d,l-alanine and N-(p-toluenesulfonyl)L-valine were corroborated by X-ray diffraction (XRD) experiments. (
  • these methods include protein production, X-ray crystallography, biophysics, and functional T-cell experiments. (
  • To enable the research of X-ray crystallography expert and nonexpert PCCR members, the MM-SR provides and maintains in-house equipment and computational resources for data collection and processing, robotic systems for high-throughput microcrystallization experiments and for their imaging and storage, and temperature-controlled rooms. (
  • This lab offers training for and is available to all staff and users on the X-ray diffractometer forlong-term experiments. (
  • Hence, given the 120 Hz X-ray pulse repetition rate of the Linac Coherent Light Source (LCLS), the sample stream advances several centimeters between X-ray pulses, which are focused to 0.1-2 μm diameter. (
  • Her team tested the new nozzle at the X-ray laser LCLS of the SLAC National Accelerator Laboratory in the US. (
  • Tao's [ Yizhi Jane Tao, assistant professor of biochemistry and cell biology ] lab specializes in X-ray crystallography, a powerful technique that can pinpoint the exact location of every atom in a biomacromolecule or a large biomacromolecular assembly. (
  • The molecular structure of room temperature (RT) nylon 66 and its transition to the high temperature (HT) form have been examined by X-ray crystallographic techniques. (
  • Established in 1981, the X-Ray Crystallography Laboratory provides single-crystal X-ray crystallographic services to the University. (
  • Their X-ray crystallographic observations in the solid state and the NMR analysis ever-reported in solution phase, which were complementary to each other, were compared for an in-depth study of reliable geometrical or conformational information of poly-substituted β-keto esters 3a-e, and good agreement is observed between them. (
  • By X-ray crystallographic fragment screening, we have identified two small-molecule fragments that bind to Ubc9 at a location that is distal from its active site. (
  • Fig.2 Overview of X-ray crystallographic method. (
  • X-Ray crystallographic data and macromolecular structure and sequence data should be deposited in an appropriate repository. (
  • This group established the first single-crystal macromolecular x-ray crystallographic laboratory at NBS. (
  • Although many universities that engage in crystallographic research have their own X-ray producing equipment, synchrotrons are often used as X-ray sources, because of the purer and more complete patterns such sources can generate. (
  • Schlichting I. and Goody R. (1997) Triggering methods in kinetic crystallography. (
  • which includes useful articles and methods utilizing single crystal X-ray diffraction (XRD) and its applications in protein and small molecule (chemical) crystallography, features breakthroughs from top research institutions around the world. (
  • Concurrently, various sample-delivery methods specifically suited for serial crystallography have been developed for synchrotron use in a high-throughput and/or routine manner. (
  • The combination of X-ray crystallography and rapid cryo-trapping methods has enabled the visualization of catalytic intermediates in a variety of enzyme systems. (
  • the scattered X-rays have the same wavelength as the incoming X-ray.By contrast,inelastic X-ray scattering methods are useful in studying excitations of the sample,rather than the distribution of its atoms. (
  • We explore, using the Crh protein dimer as a model, how information from solution NMR, solid-state NMR and X-ray crystallography can be combined using structural bioinformatics methods, in order to get insights into the transition from solution to crystal. (
  • Many techniques and methods have been used to determine this, but one of the most important has been the discovery and development of X-ray crystallography. (
  • that also includes the X-Ray Crystallography Laboratory and. (
  • Complimentary to our XRPD lab is the School of Chemistry X-ray crystallography laboratory who have extensive expertise in structure. (
  • OU Chemical Crystallography Laboratory . (
  • X-ray Crystallography Laboratory Director, Marilyn D. Yoder 007 BSB. (
  • X-Ray Crystallography Laboratory Last modified by: iguzei Company: Iowa State University. (
  • The Georgia X-Ray Crystallography Laboratory (GXRCC) at the University of Georgia is one of the most advanced and enabling academic X. (
  • The crystallography laboratory supports research in all fields of chemistry, with particular applications in. (
  • The UCD Small Molecule X-ray Crystallography Laboratory is equipped with three Bruker AXS X-ray diffractometers with CCD detectors for the collection of single. (
  • Title : Experimental Charge Densities and Electrostatic Potentials in Energetic Materials and Infrastructure Upgrade for an X-ray Crystallography Laboratory . (
  • Precautions to be Taken when Working in an X-ray Crystallography Laboratory . (
  • The SCSBMB X-ray Crystallography Laboratory is located on the 6th floor of the Libby Moody Thompson Basic Science Building. (
  • The X-ray source can be a laboratory source or synchrotron light which provides a higher X-ray flux. (
  • Laboratory SAXS instruments can be divided into two main groups: point-collimation and line-collimation instruments: Point-collimation instruments have pinholes that shape the X-ray beam to a small circular or elliptical spot that illuminates the sample. (
  • This laboratory contains a Rigaku HighFlux HomeLab X-ray diffractometer equipped with an Oxford cryo-stream setup, a Zeiss microscope for crystal manipulation and mounting. (
  • Protein complexes with reactive short-lived species that occur in chemical or binding reactions can be determined using monochromatic X-ray diffraction techniques via kinetic trapping approaches. (
  • ROD is a leader in the field of single crystal analysis, both in the field of chemical crystallography as well as well as macromolecular crystallography. (
  • A great advantage of X-ray analysis as a method of chemical structure analysis is its power to show some totally unexpected and surprising structure with, at the same time, complete certainty. (
  • An introduction to chemical crystallography / by P. H. Groth, Authorised translation by Hugh Marshall. (
  • An introduction to chemical crystallography. (
  • 9:20 PM . Graeme Gainsford and Geoff Jameson demonstrate how x-ray crystallography is used to solve the structure of chemical compounds. (
  • X-ray crystallography is still used today, to determine, for example, the precise configuration of chemical compounds like pharmaceuticals, but the advent of modern computing means that diffraction calculations are much faster. (
  • The technique involves the use of crystallography to study problems which are primarily of a chemical nature and provides accurate and precise measurements of molecular dimensions in a way that no other method can approach. (
  • Chemical crystallography may be applied to compounds of both chemical and biological interest, including: new synthetic chemicals, catalysts, pharmaceuticals, and natural products. (
  • Using sophisticated mathematical techniques, an X-ray diffraction pattern can be used to work out the relative positions of different atoms in a molecule. (
  • X-ray crystallography is the science of determining the arrangement of atoms within a crystal from the manner in which a beam of X-rays is scattered from the electrons within the crystal. (
  • By contrast, macromolecular crystallography often involves tens of thousands of atoms in the unit cell. (
  • however, X-ray crystallography has proven possible even for viruses with hundreds of thousands of atoms. (
  • Crystallography is the experimental science of the arrangement of atoms in solids. (
  • Rabat, Agadir, El Jadida - the universities of these three well known cities hosted a series of OpenLab organized by the Moroccan Association of Crystallography and supported by Bruker. (
  • One of the really special things about joining the Bruker family in crystallography, is also joining the worldwide community of Bruker users. (
  • Bruker has believed for many years that routine crystallography could be made available to a wide variety of research laboratories and educational facilities by offering a small, automated desktop instrument. (
  • Related Information: A convolutional neural network-based screening tool for X-ray serial crystallography, Tsung-Wei Ke et al. (
  • The term serial crystallography has been retained for this synchrotron data-collection protocol and underlines the common ground with SFX, although the series collected differ from SFX by the relation between consecutive images and the rotation during each frame. (
  • The Small Molecule X-ray Crystallography Facility (a.k.a. (
  • The facility currently houses three state-of-the-art single crystal X-ray diffractometers and one state-of-the-art powder X-ray diffractometer (see below for specific information about each instrument). (
  • If you have not been trained to use the X-ray machine then you need to arrange a training session with Chi (Facility Manager). (
  • Typically, X-ray diffraction is used to determine the solid-state molecular structure at the atomic level of crystalline samples, including absolute stereochemistry of chiral compounds. (
  • two compounds were also characterized by X-ray crystallography, all done to understand the specified hydrogenation reactions. (
  • In the subsequent step of lead optimisation of approximately 350 compounds Cyclacel scientists employed detailed biochemical, cellular, and pharmacokinetic analysis supported by intensive X-ray crystallography studies. (
  • Most available X-ray sources produce divergent beams and this compounds the problem. (
  • Applicants for the first position should be experienced in practical aspects of protein crystallography and structure determination. (
  • Rapid cooling of the crystal to 100 K effectively arrests the reaction, trapping the intermediate species ready for X-ray structure determination [ 1 ]. (
  • Structure determination by X-ray crystallography. (
  • Today, crystallographers routinely use lysozyme to calibrate X-ray instruments, and professors use it to train future generations of structural chemists and biologists. (
  • Crystallography is the study of atomic and molecular structure. (
  • As the crystal's unit cell becomes larger, the atomic-level picture provided by X-ray crystallography becomes less well-resolved (more "fuzzy") for a given number of observed reflections. (
  • The atomic X-ray absorption spectrum (XAS) of a core-level in an absorbing atom is separated into states in the discrete part of the spectrum called "bounds final states" or "Rydberg states" below the ionization potential (IP) and "states in the continuum" part of the spectrum above the ionization potential due to excitations of the photoelectron in the vacuum. (
  • The Product Spotlight showcases the Rigaku XtaLAB Synergy Custom single crystal X-ray diffraction system, a fully flexible Hybrid Photon Counting (HPC)-based system for laboratories requiring tailored solutions for their unique crystallography applications. (
  • The system can be customized to the user's own design using a range of high quality components dedicated for single crystal X-ray diffraction. (
  • The oldest and most precise method of X-ray crystallography is single-crystal X-ray diffraction , in which a beam of X-rays is reflected from evenly spaced planes of a single crystal, producing a diffraction pattern of spots called reflections . (
  • Zhang, Xiao-mei 2014-05-25 00:00:00 Two condensation products of aldehydes with acetoacetic ester catalyzed by methylamine or piperidine, 3a and 3b, were unambiguously assigned by single-crystal X-ray diffraction. (
  • Crystallography Times vol. 13, No. 1, focusing on single crystal X-ray diffraction, is available from the Rigaku global website. (
  • It serves the X-ray analysis community by presenting current news and research, focusing on single crystal X-ray diffraction. (
  • The product spotlight presents the Rigaku XtaLab Synergy-S single crystal X-ray diffractometer. (
  • A fast and agile single crystal X-ray diffractometer for small molecule 3D structure analysis, the system operates in either a single or dual source configuration. (
  • Structural characterization by single crystal X-ray crystallography of the novel complex C2 and [(η 6 -C 6 H 6 )RuCl 2 (P(OPh) 3 )], the latter having escaped elucidation by this method, is also reported. (
  • Figure 1: X-ray spectrum of SwissFEL's large bandwidth mode measured by scanning an X-ray monochromator through the XFEL spectrum. (
  • The typical mode of operation at XFEL facilities uses the so-called self-amplified spontaneous emission (SASE) process to generate the short, bright X-ray pulses. (
  • Fast, flexible system with the latest generation sources and HPC detectors, perfect for any crystallography lab. (
  • If detected, these X-ray-induced changes can either be minimized by the careful design of diffraction data collection strategies or exploited to drive catalysis and trap intermediate species that would be otherwise unobservable [ 8 , 11 ]. (
  • Denne metoden beskriver kloning, uttrykk og rensing av rekombinant Nsa1 for strukturelle vilje av Røntgenkrystallografi og liten vinkel X-ray spredning (SAXS) og gjelder for hybrid strukturell analyse av andre proteiner som inneholder begge bestilte og uordnede domener. (
  • SAXS and USAXS belong to a family of X-ray scattering techniques that are used in the characterization of materials. (
  • This research report categorizes the global X-Ray Crystallography market by top players/brands, region, type and end user. (
  • The X-ray Crystallography Shared Service will be most valuable in helping the UMB research community understand underlying causes of diseases and develop novel therapeutic interventions. (
  • It did so because x-ray crystallography is 100 years old this year and yet remains relatively unknown to the general public - despite being essential to many fields of science, including pharmaceutical research. (
  • The primary goal of the X-ray Crystallography Core is to enable and facilitate the research of MSKCC laboratories that use X-ray crystallography as a tool to address questions in their research programs. (