Publikation:

PAIREF : paired refinement also for Phenix users

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Maly_2-6plejla5ml0b2.pdf
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Datum

2021

Autor:innen

Malý, Martin
Dohnálek, Jan
Kolenko, Petr

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URI (zitierfähiger Link)
http://nbn-resolving.de/urn:nbn:de:bsz:352-2-6plejla5ml0b2
DOI (zitierfähiger Link)
https://doi.org/10.1107/S2053230X21006129
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Open Access-Veröffentlichung
Open Access Green

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Biologie: Publikationen
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Published

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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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ISO 690MALÝ, 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/S2053230X21006129
BibTex
@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}
}
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