International Union of CrystaJournal of Applied CrystallographyDiffraction dataMacromolecularSmall-Angle X-raSynchrotronFemtosecond crystallographyNeutron crystallographyCrystalsStructuresBeamlineComputationalProtein structureMolecularSpectroscopyExperimentsTime-resolvedAnalysisConformationalDetectorCollectBeamSAXSTechniquesMethodsInsightsLaboratoryRoom temperatureFindingsStructureCapillaryCrystallizationCollectionHeterogeneousPreviouslyScientificMoleculesSourceExamplesHigh-resolutionIndicoGeometryTechniqueCrystalQualityAnalyzeStructural dataSoftware
International Union of Crysta2
- vol.60, p796-799, 2004 © International Union of Crystallography . (univ-nantes.fr)
- HYDERABAD, India - August 21st, 2017 - At the 24th Congress & General Assembly of the International Union of Crystallography (IUCr), Bruker today announces the new, high-performance D8 VENTURE BIOTOOLS TM for laboratory macromolecular crystallography. (bruker.com)
Journal of Applied Crystallography1
- 1] Knudsen et.al, Journal of Applied Crystallography, 2013. (lu.se)
Diffraction data4
- The crystallography of skaergaardite was determined using x-ray powder diffraction data. (wikipedia.org)
- This kind of computation is of interest when using NMA for molecular replacement in X-ray crystallography diffraction data phasing. (univ-nantes.fr)
- In-house x-ray diffraction data collection. (yale.edu)
- We have produced crystals of full-length BTK for the first time but despite efforts to stabilize the autoinhibited state, the diffraction data still reveals only the SH3-SH2-kinase core with no electron density visible for the PHTH-PRR segment. (elifesciences.org)
Macromolecular7
- Dr. Vernon Smith, the Business Development Manager for Macromolecular Crystallography at Bruker AXS, noted: "With the D8 VENTURE BIOTOOLS , Bruker has once again set new standards in crystallography systems for the home laboratory. (bruker.com)
- The purpose is to make neutron macromolecular crystallography at ESS world leading and available to the biotechnological and pharmaceutical industry in Sweden. (lu.se)
- However, neutron macromolecular crystallography is still in its infancy with "only" 170 of the total 200 000 structures in the Protein Data Bank determined by this technique. (lu.se)
- Moreover, the software required for getting from raw data to scientific results is inadequate and often tedious to work with, which is a major hindrance for the wider use of neutron macromolecular crystallography, particular for the life science community that does not have a tradition of developing software. (lu.se)
- It is this latter aspect that is addressed in this proposal for the NMX (neutron macromolecular crystallography) instrument at ESS, which, combined with the high flux at ESS, will make NMX a truly world leading instrument attractive for industrial and academic research. (lu.se)
- LP3 has regular access to regular beamtime at BioMAX, the X-ray macromolecular crystallography beamline of MAX IV), for testing crystals produced at LP3 and to collect datasets. (lu.se)
- LP3 has been granted beamtime at BioMAX (the X-ray macromolecular crystallography beamline of MAX IV). (lu.se)
Small-Angle X-ra7
- Grazing-incidence small-angle X-ray scattering (GISAXS) is an important technique in the characterization of samples at the nanometre scale. (lbl.gov)
- This method describes the cloning, expression, and purification of recombinant Nsa1 for structural determination by X-ray crystallography and small-angle X-ray scattering (SAXS), and is applicable for the hybrid structural analysis of other proteins containing both ordered and disordered domains. (jove.com)
- The overall goal of this procedure is to produce a recombinant protein that is composed of a mixture of ordered and disordered domains for hybrid structural analysis by both x-ray crystallography and small angle x-ray scattering. (jove.com)
- New techniques for the study of quick clays include small angle X-ray scattering (SAXS) available at MAX IV's CoSAXS beamline, and full-field tomographic imaging and small- and wide-angle X-ray scattering (SWAXS) at ForMAX beamline. (lu.se)
- Research focus on X-ray crystallography, small-angle X-ray scattering (SAXS) and electron microscopy. (lu.se)
- Small-angle X-ray scattering (SAXS) studies of metal-induced oligomerisation of frataxin. (lu.se)
- Here, I will describe our recent progress in characterizing the structure and interactions of c-Myc focusing on MB0-II by nuclear magnetic resonance (NMR), small-angle x-ray scattering (SAXS) and protein crystallography. (lu.se)
Synchrotron5
- Serial synchrotron crystallography (SSX) helps to address this hurdle by allowing the use of many medium- to small-sized crystals. (iucr.org)
- We demonstrate the use of serial time-resolved crystallography at a synchrotron source with sub-millisecond resolution for rhodopsin studies, opening the door for principally new applications. (nature.com)
- Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography. (nature.com)
- Professor Elena Conti, Director at the Max-Planck-Institute for Biochemistry in Martinsried, Germany, stated: "The D8 VENTURE with METALJET TM has enabled my group to collect quality data from even our most difficult projects and has made our synchrotron trips more productive. (bruker.com)
- Serial synchrotron X-ray crystallography (SSX), which extends serial crystallography methods to synchrotron radiation sources, is expanding the scientific community using serial diffraction methods. (lu.se)
Femtosecond crystallography2
- Shock damage analysis in serial femtosecond crystallography data collected at MHz X-ray free-electron lasers. (mpg.de)
- Serial femtosecond crystallography was initially developed for room-temperature X-ray diffraction studies of macromolecules at X-ray free electron lasers. (lu.se)
Neutron crystallography3
- Neutron crystallography is emerging as a unique and highly promising technique for structural biology because, unlike other techniques, it can probe the locations of protons (or more specifically the heavier isotope deuterium) which are paramount for understanding biochemical processes, e.g. the hydrogen-bond pattern, the charge and tautomeric states, as well as the interactions with the surrounding solvent. (lu.se)
- LP3 is colocalised with and closely collaborates with the DEMAX platform of the ESS on production of deuterium labeled biomolecules (proteins, lipids) for neutron scattering experiments and the development of methods for crystal growth for neutron crystallography. (lu.se)
- Principles of X-ray crystallography, neutron crystallography, small angle X-ray and neutron scattering. (lu.se)
Crystals8
- Room-temperature X-ray crystallography provides unique insights into protein conformational heterogeneity, but obtaining sufficiently large protein crystals is a common hurdle. (iucr.org)
- The technique of X-ray crystallography relies on this ability to grow crystals of the protein (or macromolecule) of interest. (yale.edu)
- In this study, the crystal structure of full-length CheF was determined using crystallographic data [6] and an initial model obtained from CheF crystals with a strong translational noncrystallographic symmetry. (esrf.fr)
- The aim of protein crystallization is to produce well-ordered protein mono-crystals without any inclusion and large enough to diffract X-Ray beam. (proteincrystallography.org)
- Usually, protein crystals are grown in some solutions and before further analysis, protein crystals must be mounted and placed on the detector under the X-Ray beam. (proteincrystallography.org)
- Protein Crystallography deals with crystals about 0.1 mm in size, that's why crystal mounting requires a very high coordination of all motions and reasonable practice. (proteincrystallography.org)
- The reason for this is the limited flux at neutron sources, which therefore require very long exposure times (weeks) and very large crystals compared to X-ray crystallography. (lu.se)
- This allows users to have their crystals rapidly evaluated for diffraction and LP3 can also offer the possibility to process data and solve structures. (lu.se)
Structures10
- Observing alternative conformations at low levels of electron density, in addition to comparison of independently determined X-ray crystal structures, can provide mechanistic insights into conformational dynamics. (rcsb.org)
- In order to take advantage of the latest available high-performance I/O infrastructure, to ensure reliability and backwards compatibility of data files, and to help unify the data structures used in lattice codes, we have incorporated parallel HDF5 I/O into the SciDAC supported USQCD software stack. (lbl.gov)
- The image shows a representation of these structures, elucidated by X-ray crystallography, with data gathered at the Diamond Light Source in Oxfordshire. (icr.ac.uk)
- Data shown include structures solved by X-ray crystallography or electron microscopy. (sdsc.edu)
- The technique borrows from X-ray crystallography in that precession techniques are used for data collection and that much of the well-established software for solving structures by X-ray crystallography can be used for microED. (jeolusa.com)
- Spectroscopic techniques such as electron spin resonance (ESR) pulsed electron-electron double resonance (PELDOR), also known as double electron-electron resonance (DEER), provide a complement to atomistic structures obtained from x-ray crystallography or cryo-EM, since spectroscopic data reflect an ensemble and can be measured in more native solvents, unperturbed by a crystal lattice. (uni-regensburg.de)
- X-ray and EM structures of magnesium chelatase. (lu.se)
- Studies on iron homeostasis in mitochondria: X-ray structures of yeast frataxin, a mitochondrial protein involved in iron storage and detoxification, also known as a factor in the neurodegenerative disease Friedrich's Ataxia. (lu.se)
- The X-ray structures of trimers of the protein and their complexes with various metals, single-particle electron microscopic structure of iron-free and iron-loaded 24-subunit oligomers. (lu.se)
- LP3 can further process data, solve and refine protein structures. (lu.se)
Beamline3
- Combining X-ray crystallography data from beamline ID30B and biochemistry with cell biology reveals how the conserved signal transduction machinery in bacteria and archaea is coupled to the archaeal rotary motor termed the archaellum. (esrf.fr)
- Crystallographic data collected at beamline ID30B made it possible to solve the structure of the CheF-CTD:CheY complex at 2.4 Å resolution. (esrf.fr)
- SLS Crystallization Platform at Beamline X06DA-A Fully Automated Pipeline Enabling in Situ X-ray Diffraction Screening", Cryst. (mitegen.com)
Computational3
- I used computational modelling, X-ray crystallography and data analysis to design molecules that might become new medicines. (abpi.org.uk)
- The Superfacility concept is a framework for integrating experimental and observational instruments with computational and data facilities. (lbl.gov)
- This will be pursued by the development of sophisticated analysis software and by integrating methods from a Swedish expert research group in computational methods for crystallography into the pipeline. (lu.se)
Protein structure6
- X-ray crystallography offers detailed insights into protein structure. (iucr.org)
- As my career progressed I became more involved in the interpretation of biological, physicochemical and protein structure data to enable the design of new ligands. (abpi.org.uk)
- Protein X-ray crystallography is a high-resolution technique that allows us to study protein structure at atomic level. (csic.es)
- The first step between experimental X-ray data and protein structure is the structure solution procedure. (proteincrystallography.org)
- LP3 is a unique entry point and partner for both research aiming at conventional x-ray protein structure determination, as well as for enabling research using neutron scattering techniques that require deuterated bioreagents. (lu.se)
- demonstrate basic knowledge of how nuclear magnetic resonance (NMR), neutron diffraction and small-angle X-ray and neutron scattering can be used to produce specific information in addition to X-ray crystallography · assimilate and critically evaluate the scientific literature dealing with protein structure and function, particularly in terms of the experimental methods. (lu.se)
Molecular2
- The derivation of molecular models from spatial density data generated by X-ray crystallography or electron microscopy is an active field of research. (uzh.ch)
- We will present first molecular data showing how these boxes interact with critical transcription factors as well as with each other in a highly specific but also highly dynamic manner, and how these interactions can be interrupted. (lu.se)
Spectroscopy1
- At LCLS, the team zapped samples from cyanobacteria with ultrafast pulses of X-rays to collect both X-ray crystallography and spectroscopy data to map how electrons flow in the oxygen-evolving complex of Photosystem II. (sciencedaily.com)
Experiments3
- Overall, our results illustrate the promise of serial methods for room-temperature crystallography, as well as future avant-garde crystallography experiments, for PTP1B and other proteins. (iucr.org)
- Perform X-ray crystallograpy experiments at a basic level, from which the participant can further develop the skills on his/her own. (lu.se)
- McXtrace is an open source ray-tracing package designed for simulating X.ray scattering experiments at synchrotrons, FELs, and lab sources, but recently it has found use in other areas such as the astrophysics community for telescope design. (lu.se)
Time-resolved1
- When combined with tools that initiate biological reactions within microcrystals, time-resolved serial crystallography allows the study of structural changes that occur during an enzyme catalytic reaction. (lu.se)
Analysis9
- A key aspect of GISAXS data analysis is the accurate simulation of samples to match the measurement. (lbl.gov)
- For the most difficult system studied, we highlight the importance of advanced data analysis techniques in mining poorly converged data further. (uzh.ch)
- CT-P63 showed strong neutralising activity against the Omicron variant based on structural analysis by X-ray crystallography and neutralisation data from pseudo-virus testing. (pipelinereview.com)
- To store and archive the data for offline analysis, we create intelligent and automated data- and resource-management architectures. (lbl.gov)
- Researchers at NERSC and the Linac Coherent Light Source at SLAC are collaborating to leverage the superfacility model for real-time data analysis in the worldwide quest to decipher the SARS-CoV-2 virus. (lbl.gov)
- The ability to visualize the atomic structural details of the sodium channel was made possible by use of advanced methods of X-ray crystallography and data analysis in the laboratory of Ning Zheng, associate professor of pharmacology. (neurosciencenews.com)
- A 96-well crystallization plate that is optimized for in situ UV and X-ray analysis. (mitegen.com)
- A unique design that includes a thin well bottom, in combination with superior X-ray transparent material properties, render CrystalQuick X especially suitable for in situ X-ray analysis and crystallography data collection. (mitegen.com)
- analysis of experimental data, e.g. (lu.se)
Conformational1
- This work therefore illustrates how ranking simulations based on EBMetaD can help to bridge the gap between structural and biophysical data and thereby enhance our understanding of membrane protein conformational mechanisms. (uni-regensburg.de)
Detector4
- The system incorporates the IµS DIAMONDTM, the world's brightest microfocus X-ray source and the PHOTON IIITM, a large area photon-counting X-ray detector. (bruker.com)
- With no gaps and no charge sharing, the PHOTON III detector delivers the ultimate in laboratory crystallography data quality. (bruker.com)
- Our extremely bright and stable I µS DIAMOND X-ray source and our large area PHOTON III photon counting detector enable highly accurate data to be collected very quickly. (bruker.com)
- NMR, cryoEM and X-ray crystallography), its success hinges on the development of sophisticated software that converts the raw detector data to structural information. (lu.se)
Collect2
- Session cookies: cookies are a type designed to collect and store data while the user accesses a web page. (csic.es)
- In Earth and environmental sciences, applications such as resilient infrastructure, predictions of ecosystem responses to climate change and disturbance, and monitoring of energy resources need to collect heterogeneous data from field environments and infer scientific insights or make decisions based on predictions generated by models. (lbl.gov)
Beam1
- This report presents a simple flow cell that can be used to deliver microcrystals across an X-ray beam during SSX studies. (lu.se)
SAXS1
- Generally, individuals new to this method will struggle at the beginning with learning how to properly assess the quality of their SAXS data. (jove.com)
Techniques2
- Here you can learn some base techniques of crystal mounting, suitable for almost all protein crystallography needs. (proteincrystallography.org)
- At present, X-ray based techniques are not typical for studying quick clay. (lu.se)
Methods1
- We employ statistical methods and/or surrogate models to process the data concurrently and close the loop to communicate back to the data source. (lbl.gov)
Insights1
- Structural insights into the twist-bend nematic phase from the integration of 2H-NMR data and modelling: CB7CB and CB6OCB as case studies. (mpg.de)
Laboratory2
- The latest version of the Excillum METALJET TM , the brightest laboratory X-ray source today, is a powerful alternative to the compact, microfocus IµS DIAMOND . (bruker.com)
- This system was demonstrated by collecting SSX data at MAX IV Laboratory from microcrystals of the integral membrane protein cytochrome c oxidase from Thermus thermophilus, from which an X-ray structure was determined to 2.12 Å resolution. (lu.se)
Room temperature1
- 13 The title compound (E)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)prop-2-en-1-one 5 was obtained as follows:thionylchloride (2mL) and piperadine (1 drop) were added to a stirred solution of (E)-3-(4-chlorophenyl)acrylic acid (4,4 mmol) in dichloromethane (15 mL) at room temperature. (scielo.org.za)
Findings1
- We determine the epitopes for multiple antigen-antibody interactions and compare our findings with previously reported X-ray crystallography data. (msu.edu)
Structure6
- Despite the shared 'Src module' of the SRC and TEC families, eighteen years passed before an autoinhibited structure of one of the TEC kinases was resolved by x-ray crystallography. (elifesciences.org)
- Multi-wavelength X-ray data collection, as a part of anomalous data collection will be discussed as a most popular technique of crystal structure solution in protein crystallography. (proteincrystallography.org)
- Its structure was confirmed by 1 H NMR, 13 C NMR, HRMS and X-ray single crystal structure determination. (scielo.org.za)
- 7 In this article, we present our results on the synthesis, crystal structure and anti-ischaemic activity of new cinnamide derivative of (E)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1- yl}-3-(4-chlorophenyl)prop-2- en-1-one (5). (scielo.org.za)
- X-ray structure structure of human ornithine decarboxylase inhibitor complex. (lu.se)
- Includes protein crystallization, data collection at MAX IV, data processing, structure determination and modelling, as well as a simple exercise in ligand docking. (lu.se)
Capillary2
Crystallization1
- The most important part of any protein crystallography studies is protein crystallization. (proteincrystallography.org)
Collection7
- X-ray Data collection is a central part of all protein crystallography. (proteincrystallography.org)
- This chapter describes all modern equipment for X-ray data collection: detectors and X-ray radiation sources. (proteincrystallography.org)
- A very important part of X-ray data collection is the geometry of the experiment. (proteincrystallography.org)
- X-ray data collection is a time consuming procedure and is very expensive. (proteincrystallography.org)
- It is possible to significantly minimize the time of X-ray data collection by correct prediction of strategy of data collection. (proteincrystallography.org)
- The current crop of cameras and levels of microscope automation allow for the rapid collection of a full data set in a matter of minutes. (jeolusa.com)
- only a shift caused by poor eucentricity that would move the crystal out of the selected aperture field of view would impact the data collection. (jeolusa.com)
Heterogeneous1
- Here we report a new algorithm, CONTACT, that identifies contact networks of conformationally heterogeneous residues directly from high-resolution X-ray crystallography data. (rcsb.org)
Previously1
- Supported by high-performance computing resources at NERSC, scientists at Berkeley Lab have debuted a new form of X-ray crystallography for small molecules not previously conducive to investigation with crystallography. (lbl.gov)
Scientific3
- In doing so, we process publicly available (personal) data relating to the author as a member of the scientific community. (researchgate.net)
- Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014. (iucr.org)
- These systems perform streaming data analytics over high-speed wide-area networks such as the Energy Sciences Network (ESnet), processing data in real time at high-performance computing (HPC) facilities such as the National Energy Research Scientific Computing Center (NERSC). (lbl.gov)
Molecules3
- The rest was spent in discussions with colleagues about our work, analysing biological data, designing molecules to make and considering what direction our work should go in. (abpi.org.uk)
- Using SLAC's Linac Coherent Light Source (LCLS) X-ray laser, the researchers found that water molecules are ferried into the complex as if through a bucket brigade: They move in many small steps from one end of the pathway to the other. (sciencedaily.com)
- Noticia Further download x ray diffraction crystallography introduction examples and is heard to databases' molecules and approaches in Chapter Six. (unileon.es)
Source4
- Source data for graphs in Figs. 1 - 3 are provided with the online version of the paper and the source data for the gels shown in Extended Data Fig. 5b are provided in Supplementary Fig. 1 . (nature.com)
- Source data are provided with this paper. (nature.com)
- The new IµS DIAMOND TM is the world's brightest microfocus X-ray source. (bruker.com)
- I present the new features included in McXtrace 1.4 - the latest release of the open source x-ray tracing software package[1]. (lu.se)
Examples5
- Also the role of some parameters widely used for data processing, such as integration spot radius or estimated error, will be discussed together with number of examples showing the impact of these parameters of data processing on the final model and the final statistics. (proteincrystallography.org)
- Your download x ray diffraction crystallography introduction examples will not find developed. (unileon.es)
- The download x ray diffraction crystallography introduction examples and's largest Buddhist website. (unileon.es)
- download x ray diffraction crystallography introduction examples and solved problems upon these more cultural and 2007030352National books is that Vitamin's griechische details move already to receive Integrations, and a child more to put about text than produces not reduced. (unileon.es)
- download x ray diffraction crystallography introduction examples and solved problems 2011 by Andrey Breslav, current Designer of Kotlin. (unileon.es)
High-resolution1
- The 3D map shows surprising details in the map reflecting the high resolution quality of the data. (jeolusa.com)
Indico1
- This key enables other applications to access data from within Indico even when you are neither using nor logged into the Indico system yourself with the link provided. (lu.se)
Geometry1
- Similarly, you can get other geometry data (Measure Angle and Dihedral). (lu.se)
Technique1
- The main advantage of this technique is that it can be used to model dynamic regions of a protein or macro-molecule that cannot be resolved by x-ray crystallography. (jove.com)
Crystal3
- Currently a lot of efforts are targeted to automate crystal mounting process, but despite this the manual crystal mounting is a still very important part of protein crystallography. (proteincrystallography.org)
- Correct alignment of the crystal sometimes allows improving completeness on the final data set. (proteincrystallography.org)
- The title compound (E)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-chloro- phenyl)prop-2-en-1-one (C 28 H 29 ClN 2 O 3 , Mr = 476.98) (5) was synthesized and studied by the single crystal X-ray diffraction method. (scielo.org.za)
Quality2
- The final quality of X-Ray data is related with the data processing procedure, which includes integration of the crystallographic data and scaling. (proteincrystallography.org)
- Importance of Training Data Quality. (lu.se)
Analyze1
- This constitutes a handy tool for experimentalists facing a massive flux of data, allowing them to accurately simulate the GISAXS process and analyze the produced data. (lbl.gov)
Structural data2
- Current BTK structural data. (elifesciences.org)
- However, attempts to interpret DEER data are frequently stymied by discrepancies with the structural data, which may arise due to differences in conditions, the dynamics of the protein, or the flexibility of the attached paramagnetic spin labels. (uni-regensburg.de)
Software1
- Geosoft´s Target is essential geology software that simplifies the processing and visualization of subsurface drillhole and borehole data. (mineraltown.com)