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PAIREF: paired refinement also for Phenix users.

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.

SUBMITTER: Maly M

PROVIDER: S-EPMC8248825 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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PAIREF: paired refinement also for Phenix users.

Malý Martin M Diederichs Kay K Dohnálek Jan J Kolenko Petr P

Acta crystallographica. Section F, Structural biology communications 20210629 Pt 7

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 ...[more]

PMID: 34196613

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