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