loading page

The HZB F2X-facility -- an efficient crystallographic fragment screening platform
  • +20
  • Tatjana Barthel,
  • Laila Benz,
  • Yara Basler,
  • Thomas Crosskey,
  • Alexander Dillmann,
  • Ronald Förster,
  • Paula Fröling,
  • Camilla Genter Dieguez,
  • Christine Gless,
  • Thomas Hauß,
  • Michael Hellmig,
  • Lea Jänisch,
  • David James,
  • Frank Lennartz,
  • Jelena Mijatovic,
  • Melanie Oelker,
  • James William Scanlan,
  • Gert Weber,
  • Jan Wollenhaupt,
  • Uwe Mueller,
  • Holger Dobbek,
  • Markus C. Wahl,
  • Manfred S. Weiss
Tatjana Barthel
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Laila Benz
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Yara Basler
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Thomas Crosskey
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Alexander Dillmann
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Ronald Förster
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Paula Fröling
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Camilla Genter Dieguez
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Christine Gless
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Thomas Hauß
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Michael Hellmig
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Lea Jänisch
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
David James
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Frank Lennartz
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Jelena Mijatovic
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Melanie Oelker
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
James William Scanlan
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Gert Weber
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Jan Wollenhaupt
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Uwe Mueller
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Holger Dobbek
Humboldt-Universitat zu Berlin Institut fur Biologie
Author Profile
Markus C. Wahl
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH
Author Profile
Manfred S. Weiss
Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH

Corresponding Author:manfred.weiss@helmholtz-berlin.de

Author Profile

Abstract

Crystallographic fragment screening (CFS) has recently matured into an important method for the early stages of drug discovery projects. It is based on high-throughput structure determination and thus requires a high degree of automation as well as specialized workflows and robust analysis tools. Consequently, large-scale research facilities such as synchrotrons have embraced the method, and developed platforms to perform CFS campaigns with the help of crystallography experts and specific tools. The BESSY II synchrotron, operated by the Helmholtz-Zentrum Berlin (HZB), is one of these synchrotron facilities that offer a CFS platform, named the F2X-facility. Here, the specialized F2X workflow is described along with the relevant differences to other existing CFS platforms, and the ongoing developments aimed at supporting users of the facility. The different stages of a CFS campaign including requirements, beamline capabilities, and the software environment are detailed and explained. A unique F2X-GO kit is featured, which allows users the possibility of performing all sample preparation in their home laboratories. Furthermore, at the HZB a computational workflow has been built to support users beyond the hit identification stage. The advantages of the F2X-facility at HZB are described and references are provided to successfully conduct CFS.
08 Jun 2024Submitted to Applied Research
14 Jun 2024Submission Checks Completed
14 Jun 2024Assigned to Editor
06 Jul 2024Review(s) Completed, Editorial Evaluation Pending
17 Jul 2024Editorial Decision: Revise Minor
06 Aug 20241st Revision Received
06 Aug 2024Submission Checks Completed
06 Aug 2024Assigned to Editor
08 Aug 2024Reviewer(s) Assigned
13 Aug 2024Review(s) Completed, Editorial Evaluation Pending
19 Aug 2024Editorial Decision: Accept