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
Novel approach to phasing proteins: derivatization by short cryo‐soaking with halides
TL;DR: This approach has been tested successfully on four different proteins and has been used to solve the structure of a new protein of molecular weight 30 kDa.
Journal ArticleDOI
Towards rationalization of crystallization screening for small- to medium-sized academic laboratories: the PACT/JCSG+ strategy
Janet Newman,D. Egan,Thomas S. Walter,Ran Meged,I M Berry,M. Ben Jelloul,Joel L. Sussman,David I. Stuart,Anastassis Perrakis +8 more
TL;DR: The systematic screen, a pH-, anion- and cation-testing (PACT) screen, aims to decouple the components of each condition and to provide information about the protein, even in the absence of crystals, rather than cover a wide crystallization space.
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Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution.
TL;DR: CA146-231 and CA146-p2 dimerize with the full affinity of the intact capsid protein, and their structures therefore reveal the essential dimer interface of the HIV-1 capsid.
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New connections in the prokaryotic toxin-antitoxin network: relationship with the eukaryotic nonsense-mediated RNA decay system.
Vivek Anantharaman,L. Aravind +1 more
TL;DR: The tightly maintained gene neighborhoods of post-segregational cell killing-related systems appear to have evolved by in situ displacement of genes for toxins or antitoxins by functionally equivalent but evolutionarily unrelated genes.
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The Distribution of Internal Interfaces in Polycrystals
Gregory S. Rohrer,David M. Saylor,Bassem El Dasher,Brent L. Adams,Anthony D. Rollett,Paul Wynblatt +5 more
TL;DR: In this article, the authors review techniques that can be used to study the mesoscopic crystallographic structure of grain boundary networks and summarize current findings, showing that grain surfaces within dense polycrystals favor the same low energy planes that are found on equilibrium crystal shapes and growth forms of crystals in contact with another phase.