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A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers

Author

Listed:
  • Maximilian Wranik

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Michal W. Kepa

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Emma V. Beale

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Daniel James

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Quentin Bertrand

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Tobias Weinert

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Antonia Furrer

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Hannah Glover

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Dardan Gashi

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Melissa Carrillo

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Yasushi Kondo

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Robin T. Stipp

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Georgii Khusainov

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

  • Karol Nass

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Dmitry Ozerov

    (Theory and Data Division, Paul Scherrer Institut, Villigen-PSI)

  • Claudio Cirelli

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Philip J. M. Johnson

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Florian Dworkowski

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • John H. Beale

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Scott Stubbs

    (Paul Scherrer Institut, Villigen-PSI)

  • Thierry Zamofing

    (Paul Scherrer Institut, Villigen-PSI)

  • Marco Schneider

    (Paul Scherrer Institut, Villigen-PSI)

  • Kristina Krauskopf

    (Ludwig-Maximilians University of Munich)

  • Li Gao

    (Ludwig-Maximilians University of Munich)

  • Oliver Thorn-Seshold

    (Ludwig-Maximilians University of Munich)

  • Christoph Bostedt

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI
    Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne (EPFL))

  • Camila Bacellar

    (Photon Science Division, Paul Scherrer Institut, Villigen-PSI)

  • Michel O. Steinmetz

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI
    University of Basel)

  • Christopher Milne

    (Femtosecond X-ray Experiments Instrument, European XFEL GmbH)

  • Jörg Standfuss

    (Division of Biology and Chemistry, Paul Scherrer Institut, Villigen-PSI)

Abstract

Serial crystallography at X-ray free-electron lasers (XFELs) permits the determination of radiation-damage free static as well as time-resolved protein structures at room temperature. Efficient sample delivery is a key factor for such experiments. Here, we describe a multi-reservoir, high viscosity extruder as a step towards automation of sample delivery at XFELs. Compared to a standard single extruder, sample exchange time was halved and the workload of users was greatly reduced. In-built temperature control of samples facilitated optimal extrusion and supported sample stability. After commissioning the device with lysozyme crystals, we collected time-resolved data using crystals of a membrane-bound, light-driven sodium pump. Static data were also collected from the soluble protein tubulin that was soaked with a series of small molecule drugs. Using these data, we identify low occupancy (as little as 30%) ligands using a minimal amount of data from a serial crystallography experiment, a result that could be exploited for structure-based drug design.

Suggested Citation

  • Maximilian Wranik & Michal W. Kepa & Emma V. Beale & Daniel James & Quentin Bertrand & Tobias Weinert & Antonia Furrer & Hannah Glover & Dardan Gashi & Melissa Carrillo & Yasushi Kondo & Robin T. Stip, 2023. "A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-43523-5
    DOI: 10.1038/s41467-023-43523-5
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    References listed on IDEAS

    as
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