Integration, scaling, space-group assignment and post-refinement.

Acta Crystallographica. Section D, Biological Crystallography
Wolfgang Kabsch

Abstract

Important steps in the processing of rotation data are described that are common to most software packages. These programs differ in the details and in the methods implemented to carry out the tasks. Here, the working principles underlying the data-reduction package XDS are explained, including the new features of automatic determination of spot size and reflecting range, recognition and assignment of crystal symmetry and a highly efficient algorithm for the determination of correction/scaling factors.

References

Jan 1, 1969·Acta Crystallographica. Section A, Crystal Physics, Diffraction, Theoretical and General Crystallography·R Diamond
Apr 1, 1997·Nature Structural Biology·K Diederichs, P A Karplus
Apr 26, 2003·Acta Crystallographica. Section A, Foundations of Crystallography·Zbyszek OtwinowskiWladek Minor
Dec 22, 2005·Acta Crystallographica. Section D, Biological Crystallography·Philip Evans
Feb 4, 2010·Acta Crystallographica. Section D, Biological Crystallography·Wolfgang Kabsch
Jan 1, 1997·Methods in Enzymology·James W Pflugrath

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Citations

Jan 11, 2013·Nature·John G MentingMichael C Lawrence
Apr 25, 2013·Nature Communications·Gareth S A WrightS Samar Hasnain
Mar 5, 2013·Nature Structural & Molecular Biology·Nadia J KershawJeffrey J Babon
Aug 13, 2013·Nature Structural & Molecular Biology·Nadia ArnaudoFabrizio Martino
Oct 15, 2013·Nature Structural & Molecular Biology·Varun BhaskarElena Conti
Dec 3, 2010·Proceedings of the National Academy of Sciences of the United States of America·Samra ObeidAndreas Marx
Jul 20, 2011·Proceedings of the National Academy of Sciences of the United States of America·Claudia FerraraJörg Benz
Mar 28, 2012·Proceedings of the National Academy of Sciences of the United States of America·Thomas EicherKlaas M Pos
Jun 27, 2012·Proceedings of the National Academy of Sciences of the United States of America·Sarah M BattGurdyal S Besra
Dec 12, 2012·Proceedings of the National Academy of Sciences of the United States of America·Ana C FigueiredoPedro José Barbosa Pereira
Jun 11, 2010·The Journal of Biological Chemistry·Geoffrey A MuellerLars C Pedersen
Nov 26, 2010·The Journal of Biological Chemistry·Sonja GiesekingAndreas Marx
May 19, 2011·The Journal of Biological Chemistry·Reinhard Albrecht, Kornelius Zeth
Jul 22, 2011·The Journal of Biological Chemistry·Charlotte HodsonHelen Walden
May 19, 2012·The Journal of Biological Chemistry·Marcin GolczakKrzysztof Palczewski
May 18, 2012·The Journal of Biological Chemistry·Silke I PatzerKornelius Zeth
Jun 30, 2012·The Journal of Biological Chemistry·Gjalt G WybengaBauke W Dijkstra
May 29, 2013·The Journal of Experimental Medicine·Ron DiskinPamela J Bjorkman
Aug 9, 2012·Protein Engineering, Design & Selection : PEDS·Agnès GaudryMarie Sissler
Apr 5, 2011·Acta Crystallographica. Section D, Biological Crystallography·Philip R Evans
Jan 6, 2011·Acta Crystallographica. Section D, Biological Crystallography·Qun LiuWayne A Hendrickson
Dec 24, 2011·Acta Crystallographica. Section D, Biological Crystallography·Marcus MuellerClemens Schulze-Briese
Apr 17, 2012·Acta Crystallographica. Section D, Biological Crystallography·Pietro RoversiSusan Mary Lea
Jul 4, 2012·Acta Crystallographica. Section D, Biological Crystallography·Reha CelikelKottayil I Varughese
Feb 7, 2013·Acta Crystallographica. Section D, Biological Crystallography·Sven O DahmsManuel E Than
Jun 26, 2013·Acta Crystallographica. Section D, Biological Crystallography·Philip R Evans, Garib N Murshudov
Jun 26, 2013·Acta Crystallographica. Section D, Biological Crystallography·K Diederichs, P A Karplus
Jun 26, 2013·Acta Crystallographica. Section D, Biological Crystallography·Qun LiuWayne A Hendrickson
Dec 21, 2010·Journal of Synchrotron Radiation·Romain TalonEric Girard
Jun 3, 2010·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Klaus PiontekMartin Hofrichter
Oct 15, 2010·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Herbert L AxelrodIan A Wilson
Oct 15, 2010·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Hsiu Ju ChiuIan A Wilson
Oct 15, 2010·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Constantina BakolitsaIan A Wilson

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Methods Mentioned

BETA
X-ray

Software Mentioned

XDS
DENZO
XSCALE

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