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Merging of synchrotron serial crystallographic data by a genetic algorithm.
Zander, Ulrich; Cianci, Michele; Foos, Nicolas; Silva, Catarina S; Mazzei, Luca; Zubieta, Chloe; de Maria, Alejandro; Nanao, Max H.
Afiliación
  • Zander U; Structural Biology Group, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, France.
  • Cianci M; European Molecular Biology Laboratory, Hamburg Outstation, Building 25a, c/o DESY, Notkestrasse 85, 22607 Hamburg, Germany.
  • Foos N; Structural Biology Group, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, France.
  • Silva CS; Laboratoire de Physiologie Cellulaire et Végétale, Universite Grenoble Alpes, CNRS, CEA, INRA, BIG, Grenoble, France.
  • Mazzei L; Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Bologna, Italy.
  • Zubieta C; Laboratoire de Physiologie Cellulaire et Végétale, Universite Grenoble Alpes, CNRS, CEA, INRA, BIG, Grenoble, France.
  • de Maria A; Structural Biology Group, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, France.
  • Nanao MH; Structural Biology Group, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, France.
Acta Crystallogr D Struct Biol ; 72(Pt 9): 1026-35, 2016 09.
Article en En | MEDLINE | ID: mdl-27599735
Recent advances in macromolecular crystallography have made it practical to rapidly collect hundreds of sub-data sets consisting of small oscillations of incomplete data. This approach, generally referred to as serial crystallography, has many uses, including an increased effective dose per data set, the collection of data from crystals without harvesting (in situ data collection) and studies of dynamic events such as catalytic reactions. However, selecting which data sets from this type of experiment should be merged can be challenging and new methods are required. Here, it is shown that a genetic algorithm can be used for this purpose, and five case studies are presented in which the merging statistics are significantly improved compared with conventional merging of all data.
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Algoritmos / Proteínas / Cristalografía por Rayos X Tipo de estudio: Prognostic_studies Idioma: En Revista: Acta Crystallogr D Struct Biol Año: 2016 Tipo del documento: Article País de afiliación: Francia

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Algoritmos / Proteínas / Cristalografía por Rayos X Tipo de estudio: Prognostic_studies Idioma: En Revista: Acta Crystallogr D Struct Biol Año: 2016 Tipo del documento: Article País de afiliación: Francia