Citations
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ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments
Alejandro De Maria Antolinos,Petra Pernot,Martha Brennich,Jérôme Kieffer,Matthew W. Bowler,Solange Delagenière,Staffan Ohlsson,Stéphanie Monaco,Alun W. Ashton,Daniel Franke,Dmitri I. Svergun,Sean McSweeney,Elspeth Gordon,Adam Round +13 more
TL;DR: The ISPyB information-management system for crystallography has been adapted to include data from small-angle X-ray scattering of macromolecules in solution experiments.
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Scrutinizing negative thermal expansion in MOF-5 by scattering techniques and ab initio calculations.
Nina Lock,Mogens Christensen,Yue Wu,Vanessa K. Peterson,Maja K. Thomsen,Ross O. Piltz,Anibal J. Ramirez-Cuesta,Garry J. McIntyre,Katarina Norén,Ramzi Kutteh,Ramzi Kutteh,Cameron J. Kepert,Gordon J. Kearley,Bo B. Iversen +13 more
TL;DR: A uniform and comprehensive picture of NTE in MOF-5 has been drawn, and it is provided direct evidence that the main contributor to NTE is translational transverse motion of the aromatic ring, which can be dampened by applying a gas pressure to the sample.
Journal ArticleDOI
On the question of two-step nucleation in protein crystallization
Andrea Sauter,Felix Roosen-Runge,Fajun Zhang,Gudrun Lotze,Artem Feoktystov,Robert M. J. Jacobs,Frank Schreiber +6 more
TL;DR: This real-time study provides evidence for a two-step nucleation process for protein crystallization, but also elucidates the role and the structural signature of the MIPs in the nonclassical process ofprotein crystallization.
Journal ArticleDOI
Complete elliptical ring geometry provides energy and instrument calibration for synchrotron-based two-dimensional X-ray diffraction
TL;DR: A complete method for calibrating a two-dimensional flat-panel detector for use in X-ray diffraction is described and the geometry for the intersection of a cone’s axis and its elliptical conic section is presented.
Journal ArticleDOI
Development of an automated large-scale protein-crystallization and monitoring system for high-throughput protein-structure analyses
Masahiko Hiraki,Ryuichi Kato,Minoru Nagai,Tadashi Satoh,Satoshi Hirano,Kentaro Ihara,Norio Kudo,Masamichi Nagae,Masanori Kobayashi,Michio Inoue,Tamami Uejima,Shunichiro Oda,Leonard M. G. Chavas,Masato Akutsu,Yusuke Yamada,Masato Kawasaki,Naohiro Matsugaki,Noriyuki Igarashi,Mamoru Suzuki,Soichi Wakatsuki +19 more
TL;DR: An automated large-scale protein-crystallization system named PXS has been developed consisting of the following subsystems, which proceed in parallel under unified control software: dispensing precipitants and protein solutions, sealing crystallization plates, carrying robot, incubators, observation system and image-storage server.
References
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Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.