Megahertz pulse trains enable multi-hit serial femtosecond crystallography 
experiments at X-ray free electron lasers

Holmes, S.; Kirkwood, H. J.; Bean, R.; Giewekemeyer, K.; Martin, A. V.; Hadian-Jazi, M.; Wiedorn, M. O.; Oberthür, D.; Marman, H.; Adriano, L.; Al-Qudami, N.; Bajt, S.; Barák, I.; Bari, S.; Bielecki, J.; Brockhauser, S.; Coleman, M. A.; Cruz-Mazo, F.; Danilevski, C.; Dörner, K.; Gañán-Calvo, A. M.; Graceffa, R.; Fangohr, H.; Heymann, M.; Frank, M.; Kaukher, A.; Kim, Y.; Kobe, B.; Knoška, J.; Laurus, T.; Letrun, R.; Maia, L.; Messerschmidt, M.; Metz, M.; Michelat, T.; Mills, G.; Molodtsov, S.; Monteiro, D. C. F.; Morgan, A. J.; Münnich, A.; Murillo, G. E. P.; Previtali, G.; Round, A.; Sato, T.; Schubert, R.; Schulz, J.; Shelby, M.; Seuring, C.; Sellberg, J. A.; Sikorski, M.; Silenzi, A.; Stern, S.; Sztuk-Dambietz, J.; Szuba, J.; Trebbin, M.; Vagovic, P.; Ve, T.; Weinhausen, B.; Wrona, K.; Paulraj, L. X.; Xu, C.; Yefanov, O.; Nugent, K. A.; Chapman, H. N.; Mancuso, A. P.; Barty, A.; Abbey, B.; Darmanin, C.

doi:10.1038/s41467-022-32434-6

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Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers

MPS-Authors

Fangohr, H.
European XFEL;
Computational Science, Scientific Service Units, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
University of Southampton;

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Paulraj, L. X.
International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Citation

Holmes, S., Kirkwood, H. J., Bean, R., Giewekemeyer, K., Martin, A. V., Hadian-Jazi, M., et al. (2022). Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nature Communications, 13(1): 4708. doi:10.1038/s41467-022-32434-6.

Cite as: https://hdl.handle.net/21.11116/0000-000A-DCF3-C

Abstract

The European X-ray Free Electron Laser (XFEL) and Linac Coherent Light Source (LCLS) II are extremely intense sources of X-rays capable of generating Serial Femtosecond Crystallography (SFX) data at megahertz (MHz) repetition rates. Previous work has shown that it is possible to use consecutive X-ray pulses to collect diffraction patterns from individual crystals. Here, we exploit the MHz pulse structure of the European XFEL to obtain two complete datasets from the same lysozyme crystal, first hit and the second hit, before it exits the beam. The two datasets, separated by <1 µs, yield up to 2.1 Å resolution structures. Comparisons between the two structures reveal no indications of radiation damage or significant changes within the active site, consistent with the calculated dose estimates. This demonstrates MHz SFX can be used as a tool for tracking sub-microsecond structural changes in individual single crystals, a technique we refer to as multi-hit SFX.