Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet

Marie Luise Grünbein, Alexander Gorel, Lutz Foucar, Sergio Carbajo, William Colocho, Sasha Gilevich, Elisabeth Hartmann, Mario Hilpert, Mark Hunter, Marco Kloos, Jason E. Koglin, Thomas J. Lane, Jim Lewandowski, Alberto Lutman, Karol Nass, Gabriela Nass Kovacs, Christopher M. Roome, John Sheppard, Robert L. Shoeman, Miriam Stricker, Tim Driel, Sharon Vetter, R. Bruce Doak, Sébastien Boutet, Andrew Aquila, Franz Josef Decker, Thomas R. M. Barends, Claudiu Andrei Stan () and Ilme Schlichting ()
Additional contact information
Marie Luise Grünbein: Max Planck Institute for Medical Research, Jahnstrasse 29
Alexander Gorel: Max Planck Institute for Medical Research, Jahnstrasse 29
Lutz Foucar: Max Planck Institute for Medical Research, Jahnstrasse 29
Sergio Carbajo: SLAC National Accelerator Laboratory
William Colocho: SLAC National Accelerator Laboratory
Sasha Gilevich: SLAC National Accelerator Laboratory
Elisabeth Hartmann: Max Planck Institute for Medical Research, Jahnstrasse 29
Mario Hilpert: Max Planck Institute for Medical Research, Jahnstrasse 29
Mark Hunter: SLAC National Accelerator Laboratory
Marco Kloos: Max Planck Institute for Medical Research, Jahnstrasse 29
Jason E. Koglin: SLAC National Accelerator Laboratory
Thomas J. Lane: SLAC National Accelerator Laboratory
Jim Lewandowski: SLAC National Accelerator Laboratory
Alberto Lutman: SLAC National Accelerator Laboratory
Karol Nass: Max Planck Institute for Medical Research, Jahnstrasse 29
Gabriela Nass Kovacs: Max Planck Institute for Medical Research, Jahnstrasse 29
Christopher M. Roome: Max Planck Institute for Medical Research, Jahnstrasse 29
John Sheppard: SLAC National Accelerator Laboratory
Robert L. Shoeman: Max Planck Institute for Medical Research, Jahnstrasse 29
Miriam Stricker: Max Planck Institute for Medical Research, Jahnstrasse 29
Tim Driel: SLAC National Accelerator Laboratory
Sharon Vetter: SLAC National Accelerator Laboratory
R. Bruce Doak: Max Planck Institute for Medical Research, Jahnstrasse 29
Sébastien Boutet: SLAC National Accelerator Laboratory
Andrew Aquila: SLAC National Accelerator Laboratory
Franz Josef Decker: SLAC National Accelerator Laboratory
Thomas R. M. Barends: Max Planck Institute for Medical Research, Jahnstrasse 29
Claudiu Andrei Stan: Rutgers University Newark
Ilme Schlichting: Max Planck Institute for Medical Research, Jahnstrasse 29

Nature Communications, 2021, vol. 12, issue 1, 1-11

Abstract: Abstract X-ray free-electron lasers (XFELs) enable obtaining novel insights in structural biology. The recently available MHz repetition rate XFELs allow full data sets to be collected in shorter time and can also decrease sample consumption. However, the microsecond spacing of MHz XFEL pulses raises new challenges, including possible sample damage induced by shock waves that are launched by preceding pulses in the sample-carrying jet. We explored this matter with an X-ray-pump/X-ray-probe experiment employing haemoglobin microcrystals transported via a liquid jet into the XFEL beam. Diffraction data were collected using a shock-wave-free single-pulse scheme as well as the dual-pulse pump-probe scheme. The latter, relative to the former, reveals significant degradation of crystal hit rate, diffraction resolution and data quality. Crystal structures extracted from the two data sets also differ. Since our pump-probe attributes were chosen to emulate EuXFEL operation at its 4.5 MHz maximum pulse rate, this prompts concern about such data collection.

Date: 2021
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DOI: 10.1038/s41467-021-21819-8

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