Citations
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Texture analysis from synchrotron diffraction images with the Rietveld method : dinosaur tendon and salmon scale
TL;DR: A Rietveld method is described which extracts information on crystal structure, texture and microstructure directly from two-dimensional synchrotron diffraction images, advantageous over conventional texture analysis that relies on individual diffraction peaks, particularly for low-symmetry materials with many overlapping peaks and images with a poor peak-to-background ratio.
Journal ArticleDOI
Structural basis for anticodon recognition by discriminating glutamyl-tRNA synthetase.
TL;DR: The 2.4 Å resolution crystal structure of a 'discriminating' GluRS·tRNAGlu complex from Thermus thermophilus is reported, showing that the discrimination between the Glu and Gln anticodons is achieved by a single arginine residue (Arg 358).
Journal ArticleDOI
Improved radiation dose efficiency in solution SAXS using a sheath flow sample environment.
Nigel Kirby,Nathan Cowieson,Adrian Hawley,Stephen T. Mudie,Duncan J. McGillivray,Michael Kusel,Vesna Samardzic-Boban,Timothy M. Ryan +7 more
TL;DR: Coflow is a new method for delivering radiation-sensitive biological and other solution-based samples to high-brightness X-ray beamlines that exploits laminar flow to ameliorate radiation-damage limitations and provides a host of practical improvements associated with these types of experiments.
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A preformed binding interface in the unbound ensemble of an intrinsically disordered protein: evidence from molecular simulations.
Michael Knott,Robert B. Best +1 more
TL;DR: Support is obtained for a mechanism by which NCBD gains the advantages of disorder, while forming binding-competent structures in the unbound state from coarse-grained simulations of NCBD with, and without, its binding partner.
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An introduction to molecular replacement
Philip R. Evans,Airlie J. McCoy +1 more
TL;DR: An outline is given of the basic features of the molecular-replacement method for solving crystal structures.
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.
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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.