Publikation: PAIREF : paired refinement also for Phenix users
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2021
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Acta crystallographica, Section F : Structural biology communications. International Union of Crystallography (IUCr). 2021, 77(7), pp. 226-229. ISSN 1744-3091. eISSN 2053-230X. Available under: doi: 10.1107/S2053230X21006129
Zusammenfassung
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.
Zusammenfassung in einer weiteren Sprache
Fachgebiet (DDC)
570 Biowissenschaften, Biologie
Schlagwörter
macromolecular crystallography; PAIREF; Phenix; X-ray diffraction; paired refinement; high-resolution limit
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MALÝ, Martin, Kay DIEDERICHS, Jan DOHNÁLEK, Petr KOLENKO, 2021. PAIREF : paired refinement also for Phenix users. In: Acta crystallographica, Section F : Structural biology communications. International Union of Crystallography (IUCr). 2021, 77(7), pp. 226-229. ISSN 1744-3091. eISSN 2053-230X. Available under: doi: 10.1107/S2053230X21006129BibTex
@article{Maly2021-07-01PAIRE-54180, year={2021}, doi={10.1107/S2053230X21006129}, title={PAIREF : paired refinement also for Phenix users}, number={7}, volume={77}, issn={1744-3091}, journal={Acta crystallographica, Section F : Structural biology communications}, pages={226--229}, author={Malý, Martin and Diederichs, Kay and Dohnálek, Jan and Kolenko, Petr} }
RDF
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