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FragMAX : the fragment-screening platform at the MAX IV Laboratory

Lima, Gustavo M A LU orcid ; Talibov, Vladimir O LU orcid ; Jagudin, Elmir LU ; Sele, Céleste LU ; Nyblom, Maria ; Knecht, Wolfgang LU ; Logan, Derek T LU orcid ; Sjögren, Tove and Mueller, Uwe (2020) In Acta Crystallographica Section D: Structural Biology 76(Pt 8). p.771-777
Abstract

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... (More)

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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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Acta Crystallographica Section D: Structural Biology
volume
76
issue
Pt 8
pages
7 pages
publisher
John Wiley & Sons Inc.
external identifiers
  • pmid:32744259
  • scopus:85088908541
ISSN
2059-7983
DOI
10.1107/S205979832000889X
language
English
LU publication?
yes
id
ca06227f-688d-4dfb-bc89-a69b4de18997
date added to LUP
2020-08-07 09:56:12
date last changed
2025-01-09 16:25:28
@article{ca06227f-688d-4dfb-bc89-a69b4de18997,
  abstract     = {{<p>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.</p>}},
  author       = {{Lima, Gustavo M A and Talibov, Vladimir O and Jagudin, Elmir and Sele, Céleste and Nyblom, Maria and Knecht, Wolfgang and Logan, Derek T and Sjögren, Tove and Mueller, Uwe}},
  issn         = {{2059-7983}},
  language     = {{eng}},
  month        = {{08}},
  number       = {{Pt 8}},
  pages        = {{771--777}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{Acta Crystallographica Section D: Structural Biology}},
  title        = {{FragMAX : the fragment-screening platform at the MAX IV Laboratory}},
  url          = {{http://dx.doi.org/10.1107/S205979832000889X}},
  doi          = {{10.1107/S205979832000889X}},
  volume       = {{76}},
  year         = {{2020}},
}