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  Observation of shock-induced protein crystal damage during megahertz serial femtosecond crystallography

Grünbein, M. L., Foucar, L., Gorel, A., Hilpert, M., Kloos, M., Nass, K., et al. (2021). Observation of shock-induced protein crystal damage during megahertz serial femtosecond crystallography. Physical Review Research, 3: 013046, pp. 1-16. doi:10.1103/PhysRevResearch.3.013046.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000A-8C9D-8 Version Permalink: https://hdl.handle.net/21.11116/0000-000A-8C9E-7
Genre: Journal Article

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 Creators:
Grünbein, Marie L.1, Author           
Foucar, Lutz1, Author           
Gorel, Alexander1, Author           
Hilpert, Mario1, Author           
Kloos, Marco1, Author           
Nass, Karol1, Author           
Nass Kovacs, Gabriela1, Author           
Roome, Christopher M.1, Author           
Shoeman, Robert L.1, Author           
Stricker, Miriam1, Author           
Carbajo, Sergio, Author
Colocho, William, Author
Gilevich, Sasha, Author
Hunter, Mark, Author
Lewandowski, Jim, Author
Lutman, Alberto, Author
Koglin, Jason E., Author
Lane, Thomas J., Author
van Driel, Tim, Author
Sheppard, John, Author
Vetter, Sharon L., AuthorTurner, James L., AuthorDoak, R. Bruce1, Author           Barends, Thomas R. M.1, Author           Boutet, Sébastien, AuthorAquila, Andrew L., AuthorDecker, Franz-Josef, AuthorSchlichting, Ilme1, Author           Stan, Claudiu A., Author more..
Affiliations:
1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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 Abstract: Shock waves launched by x-ray pulses in sample-carrying liquid jets may affect protein crystallography data collected at MHz repetition rate x-ray free-electron laser (XFEL) facilities, by damaging the crystals before they are probed. We investigated the shock damage in lysozyme microcrystals using a double-pulse operation mode at a low repetition rate x-ray laser facility. The double-pulse mode generated shock waves with pressures that covered and exceeded the shock pressures expected at MHz pulse rate experiments at the European XFEL (EuXFEL) x-ray laser. The quality of the x-ray diffraction data from the crystals was degraded after the shock passed. A decrease in the number of peaks and in the resolution occurred above an estimated shock pressure threshold on the order of tens of MPa. Based on the scaling of the shock pressure with the sample injection parameters and the pulse rates, this threshold was not reached in initial EuXFEL experiments performed at pulse rates of 1.1 MHz but may be exceeded at the maximum pulse rate of 4.5 MHz. The observation of shock damage in lysozyme crystals indicates how experiments can be designed to rapidly detect, and eventually avoid, shock damage in other crystals. Our analysis of shock pressures in liquid jets can also be used to estimate the effect of the shocks in other types of experiments at MHz repetition rate XFELs.

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Language(s): eng - English
 Dates: 2020-10-132020-12-212021-01-15
 Publication Status: Published online
 Pages: 16
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevResearch.3.013046
 Degree: -

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Title: Physical Review Research
Source Genre: Journal
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Publ. Info: College Park, Maryland, United States : American Physical Society (APS)
Pages: - Volume / Issue: 3 Sequence Number: 013046 Start / End Page: 1 - 16 Identifier: ISSN: 2643-1564
CoNE: https://pure.mpg.de/cone/journals/resource/2643-1564