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
Structure of Mesorhizobium Loti Arylamine N-Acetyltransferase 1.
Simon J. Holton,Julien Dairou,James Sandy,Fernando Rodrigues-Lima,Fernando Rodrigues-Lima,Jean Marie Dupret,Jean Marie Dupret,Martin E.M. Noble,E. Sim +8 more
TL;DR: The structure reveals that despite low sequence homology, M. loti NAT1 shares the common fold as reported in previous NAT structures and exhibits the same catalytic triad of residues (Cys-His-Asp) in the active site.
Journal ArticleDOI
Poly[bis(phenethyl-ammonium) [di-bromido-plumbate(II)]-di-μ-bromido]].
TL;DR: Crystals of the title compound, C6H5C2H4NH3)2[PbBr4]n, were grown at room temperature from a solution in N,N-dimethylformamide (DMF) using nitromethane as the poor solvent.
Journal ArticleDOI
The interpretation and analysis of diffuse scattering using Monte Carlo simulation methods
Thomas Welberry,Darren Goossens +1 more
TL;DR: Some of the extra difficulties involved in the measurement, interpretation and analysis of diffuse scattering are highlighted and the progress that has been made is plotted.
Posted Content
Sucrose Solutions as Prospective Medium to Study the Vesicle Structure: SAXS and SANS study
TL;DR: The range of sucrose concentration from 30 to 40% created the best experimental conditions for the X-ray small-angle experiment with phospholipid vesicles, and 40% sucrose in H2O increasedX-ray contrast by up to 10 times compared to pure H2 O.
Journal ArticleDOI
Low-resolution models for nucleic acids from small-angle X-ray scattering with applications to electrostatic modeling
TL;DR: In this paper, a set of RNA and DNA molecules of known three-dimensional structure from their small-angle X-ray scattering profiles were reconstructed by using the Poisson-Boltzmann equation to estimate the number of ions bound under different solution conditions.