Citations
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Journal ArticleDOI
A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
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.
References
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Journal ArticleDOI
The design of macromolecular crystallography diffraction experiments.
TL;DR: Thoughts about the decisions made in designing macromolecular X-ray crystallography experiments at synchrotron beamlines are presented.
Journal ArticleDOI
Conformational flexibility of Mycobacterium tuberculosis thioredoxin reductase: crystal structure and normal-mode analysis.
TL;DR: TLS refinement and normal-mode analysis enhance the understanding of the associated conformational changes and show that the motion required to bring about the functional conformational change can be accounted for by motion along one single mode.
Journal ArticleDOI
Graphene as a protein crystal mounting material to reduce background scatter
TL;DR: The results show the potential for graphene in protein crystallography and other cases whereX-ray scatter from the mounting material must be reduced and specimen dehydration prevented, such as in coherent X-ray diffraction imaging of microscopic objects.
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SENJU: a new time-of-flight single-crystal neutron diffractometer at J-PARC.
Takashi Ohhara,Ryoji Kiyanagi,Kenichi Oikawa,Koji Kaneko,Takuro Kawasaki,Itaru Tamura,Akiko Nakao,Takayasu Hanashima,Koji Munakata,Taketo Moyoshi,Tetsuya Kuroda,Hiroyuki Kimura,Terutoshi Sakakura,Chang Hee Lee,Miwako Takahashi,Ken-ichi Ohshima,Tamiko Kiyotani,Yukio Noda,Yukio Noda,Masatoshi Arai,Masatoshi Arai +20 more
TL;DR: ENJU, a time-of-flight Laue-type single-crystal neutron diffractometer, was developed at the Materials and Life Science Experimental Facility of the Japan Accelerator Research Complex (J-PARC).
Journal ArticleDOI
Structure of a complex of the potent and specific inhibitor BW284C51 with Torpedo californica acetylcholinesterase.
TL;DR: The X-ray crystal structure of Torpedo californica acetylcholinesterase complexed with BW284C51 is described and compared with the complexes of two other active-site gorge-spanning inhibitors, decamethonium and E2020.