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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Book ChapterDOI
Collaborative Computational Project, number 4: providing programs for protein crystallography.
TL;DR: The funding of CCP4, including important contributions from industrial companies, has grown to allow the employment of full-time staff based at Daresbury Laboratory to coordinate the activities of the project.
Journal ArticleDOI
Upgrade of the small-angle X-ray scattering beamline X33 at the European Molecular Biology Laboratory, Hamburg
Manfred Roessle,Robbert Klaering,Uwe Ristau,Bernd Robrahn,Doris Jahn,Thomas Gehrmann,Petr V. Konarev,Adam Round,Stefan Fiedler,Christoph Hermes,Dmitri I. Svergun,Dmitri I. Svergun +11 more
TL;DR: In this article, a major upgrade of the small-angle X-ray scattering beamline X33 was performed to improve the beamline stability and data quality, to shorten the measurement time and to ensure user-friendly operation.
Journal ArticleDOI
P03, the microfocus and nanofocus X-ray scattering (MiNaXS) beamline of the PETRA III storage ring: the microfocus endstation
Adeline Buffet,André Rothkirch,Ralph Döhrmann,Volker Körstgens,Mottakin M. Abul Kashem,Jan Perlich,Gerd Herzog,Matthias Schwartzkopf,Rainer Gehrke,Peter Müller-Buschbaum,Stephan V. Roth +10 more
TL;DR: The MiNaXS (P03) beamline of the new third-generation synchrotron radiation source PETRA III has been designed to perform small-, ultra-small- and wide-angle X-ray scattering in both transmission and grazing-incidence geometries.
Journal ArticleDOI
Allostery and intrinsic disorder mediate transcription regulation by conditional cooperativity.
Abel Garcia-Pino,Sreeram Balasubramanian,Lode Wyns,Ehud Gazit,Henri De Greve,Roy Rd Magnuson,Daniel Charlier,Nico A. J. van Nuland,Remy Loris +8 more
TL;DR: The experiments provide the basis for understanding the mechanism of conditional cooperative regulation of transcription typical of toxin-antitoxin modules and may be applicable for the regulation of other biological systems.
Journal ArticleDOI
Joint X-ray and neutron refinement with phenix.refine
Pavel V. Afonine,Marat Mustyakimov,Ralf W. Grosse-Kunstleve,Nigel W. Moriarty,Paul Langan,Paul D. Adams,Paul D. Adams +6 more
TL;DR: The implementation of crystallographic structure-refinement procedures that include both X-ray and neutron data (separate or jointly) in the PHENIX system is described.