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

Grünbein, Marie L.; Foucar, Lutz; Gorel, Alexander; Hilpert, Mario; Kloos, Marco; Nass, Karol; Nass Kovacs, Gabriela; Roome, Christopher M.; Shoeman, Robert L.; Stricker, Miriam; Carbajo, Sergio; Colocho, William; Gilevich, Sasha; Hunter, Mark; Lewandowski, Jim; Lutman, Alberto; Koglin, Jason E.; Lane, Thomas J.; van Driel, Tim; Sheppard, John; Vetter, Sharon L.; Turner, James L.; Doak, R. Bruce; Barends, Thomas R. M.; Boutet, Sébastien; Aquila, Andrew L.; Decker, Franz-Josef; Schlichting, Ilme; Stan, Claudiu A.

doi:10.1103/PhysRevResearch.3.013046

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Journal Article

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

MPS-Authors

/persons/resource/persons123592

Grünbein, Marie L.
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/persons192083

Gorel, Alexander
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/persons203860

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

/persons/resource/persons117928

Nass, Karol
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons183396

Nass Kovacs, Gabriela
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons183399

Roome, Christopher M.
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/persons225677

Stricker, Miriam
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/persons92083

Barends, Thomas R. M.
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;

External Resource

https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.3.013046
(Any fulltext)

https://journals.aps.org/prresearch/pdf/10.1103/PhysRevResearch.3.013046
(Any fulltext)

https://journals.aps.org/prresearch/supplemental/10.1103/PhysRevResearch.3.013046/Gruenbein_XtalSWDamage-Revised_SupplementaryText.pdf
(Supplementary material)

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

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.

Cite as: https://hdl.handle.net/21.11116/0000-000A-8C9D-8

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.