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
Outrunning free radicals in room-temperature macromolecular crystallography
Robin L. Owen,Danny Axford,Joanne E. Nettleship,Raymond J. Owens,James I. Robinson,Ann W. Morgan,Andrew S. Doré,Guillaume Lebon,Christopher G. Tate,Elizabeth E. Fry,Jingshan Ren,David I. Stuart,Gwyndaf Evans +12 more
TL;DR: A systematic increase in lifetime is observed in room-temperature protein and virus crystals through the use of reduced exposure times and a fast detector.
Journal ArticleDOI
Biochemical characterization of the high affinity binding between the glycine receptor and gephyrin.
Nils Schrader,Eun Young Kim,Jan Winking,Jens Paulukat,Hermann Schindelin,Günter Schwarz,Günter Schwarz +6 more
TL;DR: In vitro interaction of gephyrin and its domains with the large cytoplasmic loop of the GlyR β-sub-unit (GlyRβ-loop) is studied and the binding site was mapped to one of its sub-domains (residues 496–654).
Journal ArticleDOI
Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade
TL;DR: A highly enantioselective hydroamination/N-sulfonyliminium cyclization cascade is reported using a combination of gold(I) and chiral phosphoric acid catalysts, providing access to complex sulfonamide scaffolds in excellent yield and high enantiocontrol.
Journal ArticleDOI
A list of organic kryptoracemates
TL;DR: Kryptoracemates were found to account for 0.1% of all organic structures containing either a racemic compound, a meso molecule, or some other achiral molecule.
Journal ArticleDOI
In situ neutron diffraction measurements of temperature and stresses during friction stir welding of 6061-T6 aluminium alloy
Wanchuck Woo,Zhili Feng,Xun-Li Wang,Donald W. Brown,Bjørn Clausen,Ke An,Hahn Choo,Camden R. Hubbard,Stan A David +8 more
TL;DR: In this article, the evolution of temperature and thermal stresses during friction stir welding of Al6061-T6 was investigated by means of in situ, time resolved neutron diffraction technique.