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
Structural genomics of infectious disease drug targets: the SSGCID.
Robin Stacy,Darren W. Begley,Isabelle Phan,Bart L. Staker,Wesley C. Van Voorhis,Gabriele Varani,Garry W. Buchko,Lance Stewart,Peter J. Myler +8 more
TL;DR: An introduction and overview of the focus, goals and overall mission of the Seattle Structural Genomics Center for Infectious Disease (SSGCID) is given.
Journal ArticleDOI
A revised partiality model and post-refinement algorithm for X-ray free-electron laser data
Helen M. Ginn,Aaron S. Brewster,Johan Hattne,Gwyndaf Evans,Armin Wagner,Jonathan M. Grimes,Nicholas K. Sauter,Geoff Sutton,David I. Stuart +8 more
TL;DR: An updated partiality model and post-refinement algorithm for XFEL snapshot diffraction data is presented and confirmed by observing anomalous density for S atoms at an X-ray wavelength of 1.3 Å.
Journal ArticleDOI
Crystal structure and biophysical properties of a complex between the N-terminal SNARE region of SNAP25 and syntaxin 1a.
TL;DR: It is shown that syn1aH3 can also form a stable but kinetically trapped complex with the N-terminal SNARE region of SNAP25 (S25N), and it is demonstrated that the syn1 aH3·S 25N complex can be disassembled by α-SNAP and N-ethylmaleimide-sensitive factor.
Journal ArticleDOI
Modeling truncated pixel values of faint reflections in MicroED images
TL;DR: A procedure is presented to model the truncated low pixel counts in micro-electron diffraction (MicroED) images and the correction could extend to any conventional macromolecular X-ray crystallography orX-ray free-electrons laser measurements.
Journal ArticleDOI
Space groups P1 and Cc: how are they doing?
TL;DR: A survey of recent entries in the Cambridge Structural Database suggests that the percentage of structures described in space groups of inappropriately low symmetry has decreased from about 10% in the early 2000s to less than 5% today, but that for space group P1 it remains close to 8%.