Literature DB >> 34196613

PAIREF: paired refinement also for Phenix users.

Martin Malý1, Kay Diederichs2, Jan Dohnálek3, Petr Kolenko1.   

Abstract

In macromolecular crystallography, paired refinement is generally accepted to be the optimal approach for the determination of the high-resolution cutoff. The software tool PAIREF provides automation of the protocol and associated analysis. Support for phenix.refine as a refinement engine has recently been implemented in the program. This feature is presented here using previously published data for thermolysin. The results demonstrate the importance of the complete cross-validation procedure to obtain a thorough and unbiased insight into the quality of high-resolution data.

Entities:  

Keywords:  PAIREF; Phenix; X-ray diffraction; high-resolution limit; macromolecular crystallography; paired refinement

Mesh:

Year:  2021        PMID: 34196613      PMCID: PMC8248825          DOI: 10.1107/S2053230X21006129

Source DB:  PubMed          Journal:  Acta Crystallogr F Struct Biol Commun        ISSN: 2053-230X            Impact factor:   1.072


  16 in total

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Review 5.  Assessing and maximizing data quality in macromolecular crystallography.

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6.  Better models by discarding data?

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Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-06-15

7.  How good are my data and what is the resolution?

Authors:  Philip R Evans; Garib N Murshudov
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-06-13

8.  REFMAC5 for the refinement of macromolecular crystal structures.

Authors:  Garib N Murshudov; Pavol Skubák; Andrey A Lebedev; Navraj S Pannu; Roberto A Steiner; Robert A Nicholls; Martyn D Winn; Fei Long; Alexei A Vagin
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2011-03-18

9.  Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution.

Authors:  Jeffrey J Headd; Nathaniel Echols; Pavel V Afonine; Ralf W Grosse-Kunstleve; Vincent B Chen; Nigel W Moriarty; David C Richardson; Jane S Richardson; Paul D Adams
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2012-03-16

Review 10.  The solvent component of macromolecular crystals.

Authors:  Christian X Weichenberger; Pavel V Afonine; Katherine Kantardjieff; Bernhard Rupp
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2015-04-30
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  1 in total

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