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FragMAX: the fragment-screening platform at the MAX IV Laboratory.
Lima, Gustavo M A; Talibov, Vladimir O; Jagudin, Elmir; Sele, Céleste; Nyblom, Maria; Knecht, Wolfgang; Logan, Derek T; Sjögren, Tove; Mueller, Uwe.
Afiliação
  • Lima GMA; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden.
  • Talibov VO; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden.
  • Jagudin E; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden.
  • Sele C; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden.
  • Nyblom M; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden.
  • Knecht W; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden.
  • Logan DT; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden.
  • Sjögren T; Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, 431 83 Mölndal, Sweden.
  • Mueller U; Macromolecular Crystallography, Helmholtz-Zentrum Berlin, Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
Acta Crystallogr D Struct Biol ; 76(Pt 8): 771-777, 2020 Aug 01.
Article em En | MEDLINE | ID: mdl-32744259
Advances in synchrotron storage rings and beamline automation have pushed data-collection rates to thousands of data sets per week. With this increase in throughput, massive projects such as in-crystal fragment screening have become accessible to a larger number of research groups. The quality of support offered at large-scale facilities allows medicinal chemistry-focused or biochemistry-focused groups to supplement their research with structural biology. Preparing the experiment, analysing multiple data sets and prospecting for interesting complexes of protein and fragments require, for both newcomers and experienced users, efficient management of the project and extensive computational power for data processing and structure refinement. Here, FragMAX, a new complete platform for fragment screening at the BioMAX beamline of the MAX IV Laboratory, is described. The ways in which users are assisted in X-ray-based fragment screenings and in which the fourth-generation storage ring available at the facility is best exploited are also described.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Software / Proteínas / Elementos Estruturais de Proteínas Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Revista: Acta Crystallogr D Struct Biol Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Suécia

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Software / Proteínas / Elementos Estruturais de Proteínas Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Revista: Acta Crystallogr D Struct Biol Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Suécia