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.

Faculty of Nuclear Sciences and Physical Engineering Czech Technical University Prague Břehová 7 115 19 Prague 1 Czech Republic

Institute of Biotechnology of the Czech Academy of Sciences BIOCEV Průmyslová 595 252 50 Vestec Czech Republic

University of Konstanz Box M647 78457 Konstanz Germany

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Tetracycline-modifying enzyme SmTetX from Stenotrophomonas maltophilia