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

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.

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 Creators:
Gorel, Alexander1, Author              
Grünbein, Marie Luise1, Author              
Bean, Richard, Author
Bielecki, Johan, Author
Hilpert, Mario1, Author              
Cascella, Michele, Author
Colletier, Jacques-Philippe, Author
Fangohr, Hans, Author
Foucar, Lutz1, Author              
Hartmann, Elisabeth1, Author              
Hunter, Mark S., Author
Kirkwood, Henry, Author
Kloos, Marco1, Author              
Letrun, Romain, Author
Michelat, Thomas, Author
Shoeman, Robert L.1, Author              
Sztuk-Dambietz, Jolanta, Author
Tetreau, Guillaume, Author
Zimmermann, Herbert1, Author              
Mancuso, Adrian P., Author
Barends, Thomas R.M.1, Author              Doak, R. Bruce1, Author              Stan, Claudiu Andrei, AuthorSchlichting, Ilme1, Author               more..
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1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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Free keywords: X-ray free-electron laser; serial femtosecond crystallography; shock wave; protein crystallography
 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.

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Language(s): eng - English
 Dates: 2020-12-112020-12-012020-12-132020-12-16
 Publication Status: Published online
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.3390/cryst10121145
 Degree: -

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Title: Crystals
Source Genre: Journal
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Publ. Info: Basel, Switzerland : MDPI AG
Pages: - Volume / Issue: 10 (12) Sequence Number: 1145 Start / End Page: 1 - 12 Identifier: ISSN: 2073-4352
CoNE: https://pure.mpg.de/cone/journals/resource/2073-4352