PAIREF: paired refinement also for Phenix users

Author:

Malý MartinORCID,Diederichs KayORCID,Dohnálek JanORCID,Kolenko PetrORCID

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.

Funder

Ministerstvo Školství, Mládeže a Tělovýchovy

Grantová Agentura České Republiky

Akademie Věd České Republiky

České Vysoké Učení Technické v Praze

Publisher

International Union of Crystallography (IUCr)

Subject

Condensed Matter Physics,Genetics,Biochemistry,Structural Biology,Biophysics

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