Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

Gorel, Alexander; Grünbein, Marie Luise; Bean, Richard; Bielecki, Johan; Hilpert, Mario; Cascella, Michele; Colletier, Jacques-Philippe; Fangohr, Hans; Foucar, Lutz; Hartmann, Elisabeth; Hunter, Mark S.; Kirkwood, Henry; Kloos, Marco; Letrun, Romain; Michelat, Thomas; Shoeman, Robert L.; Sztuk-Dambietz, Jolanta; Tetreau, Guillaume; Zimmermann, Herbert; Mancuso, Adrian P.; Barends, Thomas R.M.; Doak, R. Bruce; Stan, Claudiu Andrei; Schlichting, Ilme

doi:10.3390/cryst10121145

Title: Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

Journal Article · Wed Dec 16 00:00:00 EST 2020 · Crystals

DOI:https://doi.org/10.3390/cryst10121145· OSTI ID:1768602

^[1]; Grünbein, Marie Luise ^[1]; Bean, Richard ^[2]; Bielecki, Johan ^[2];

^[1]; Cascella, Michele ^[2]; Colletier, Jacques-Philippe ^[3]; Fangohr, Hans ^[4]; Foucar, Lutz ^[1]; Hartmann, Elisabeth ^[1]; Hunter, Mark S. ^[5]; Kirkwood, Henry ^[2]; Kloos, Marco ^[1];

^[2]; Michelat, Thomas ^[2]; Shoeman, Robert L. ^[1]; Sztuk-Dambietz, Jolanta ^[2];

^[3]; Zimmermann, Herbert ^[1]; Mancuso, Adrian P. ^[6] more »

Max Planck Inst. for Medical Research, Heidelberg (Germany)
European X-ray Free-Electron Laser (XFEL) GmbH, Schenefeld (Germany)
Univ. Grenoble Alpes, Grenoble (France)
European X-ray Free-Electron Laser (XFEL) GmbH, Schenefeld (Germany); Max Planck Inst. for Structure and Dynamics of Matter, Hamburg (Germany); Univ. of Southampton (United Kingdom)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
European X-ray Free-Electron Laser (XFEL) GmbH, Schenefeld (Germany); La Trobe Univ., Melbourne, VIC (Australia)
Rutgers Univ., Newark, NJ (United States)

Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Agence Nationale de la Recherche (ANR)

Grant/Contract Number:: AC02-76SF00515; ANR-17-CE11-0018-01

OSTI ID:: 1768602

Journal Information:: Crystals, Vol. 10, Issue 12; ISSN 2073-4352

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
X-ray free-electron laser
serial femtosecond crystallography
shock wave
protein crystallography

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