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

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Shock damage analysis in serial femtosecond crystallography data collected at MHz X-ray free-electron lasers

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Gorel, Alexander
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons123592

Grünbein, Marie Luise
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons183393

Hilpert, Mario
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons92933

Foucar, Lutz
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons117815

Hartmann, Elisabeth
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons203860

Kloos, Marco
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons95345

Shoeman, Robert L.
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons128263

Zimmermann, Herbert
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons92083

Barends, Thomas R.M.
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons117878

Doak, R. Bruce
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons95189

Schlichting, Ilme
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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https://www.mdpi.com/2073-4352/10/12/1145/pdf
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https://doi.org/10.3390/cryst10121145
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Citation

Gorel, A., Grünbein, M. L., Bean, R., Bielecki, J., Hilpert, M., Cascella, M., et al. (2020). Shock damage analysis in serial femtosecond crystallography data collected at MHz X-ray free-electron lasers. Crystals, 10(12): 1145, pp. 1-12. doi:10.3390/cryst10121145.

Cite as: https://hdl.handle.net/21.11116/0000-0007-9CF0-A

Abstract

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.