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

By Susannah Holmes, Henry J. Kirkwood, Richard Bean, Klaus Giewekemeyer, Andrew V. Martin, Marjan Hadian-Jazi, Max Oliver Wiedorn1, Dominik Oberthür, Hugh Marman, Luigi Adriano, Nasser Al-Qudami, Saša Bajt, Imrich Barák, Sadia Bari, Johan Bielecki, Sandor Brockhauser, Mathew A. Coleman, Francisco Cruz-Mazo, Cyril Danilevski, Katerina Dörner, Alfonso M. Gañán-Calvo, Rita Graceffa2, Hans Fanghor, Michael Heymann, Matthias Frank3, Alexander Kaukher, Yoonhee Kim, Bostjan Kobe, Juraj Knoška, Torsten Laurus, Romain Letrun, Luis Maia, Marc Messerschmidt4, Markus Metz, Thomas Michelat, Grant Mills, Serguei Molodtsov, Diana Monteiro, Andrew J. Morgan, Astrid Münnich, Gisel E. Peña Murillo, Gianpietro Previtali, Adam Round, Tokushi Sato, Robin Schubert, Joachim Schulz, Megan Shelby3, Carolin Seuring, Jonas A. Sellberg, Marcin Sikorski, Alessandro Silenzi, Stephan Stern, Jola Sztuk-Dambietz, Janusz Szuba, Martin Trebbin5, Patrick Vagovic, Thomas Ve, Britta Weinhausen, Krzysztof Wrona, Paul Lourdu Xavier, Chen Xu, Oleksandr Yefanov, Keith A. Nugent, Henry Chapman1, Adrian P. Mancuso, Anton Barty, Brian Abbey6, Connie Darmanin

1. Center for Free-Electron Laser Science 2. European XFEL 3. Lawrence Livermore National Laboratory 4. Arizona State University 5. University at Buffalo 6. ARC Centre of Excellence for Advanced Molecular Imaging

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Category

BioXFEL Publications

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Type

journal-article

Author

Susannah Holmes and Henry J. Kirkwood and Richard Bean and Klaus Giewekemeyer and Andrew V. Martin and Marjan Hadian-Jazi and Max O. Wiedorn and Dominik Oberthür and Hugh Marman and Luigi Adriano and Nasser Al-Qudami and Saša Bajt and Imrich Barák and Sadia Bari and Johan Bielecki and Sandor Brockhauser and Mathew A. Coleman and Francisco Cruz-Mazo and Cyril Danilevski and Katerina Dörner and Alfonso M. Gañán-Calvo and Rita Graceffa and Hans Fanghor and Michael Heymann and Matthias Frank and Alexander Kaukher and Yoonhee Kim and Bostjan Kobe and Juraj Knoška and Torsten Laurus and Romain Letrun and Luis Maia and Marc Messerschmidt and Markus Metz and Thomas Michelat and Grant Mills and Serguei Molodtsov and Diana C. F. Monteiro and Andrew J. Morgan and Astrid Münnich and Gisel E. Peña Murillo and Gianpietro Previtali and Adam Round and Tokushi Sato and Robin Schubert and Joachim Schulz and Megan Shelby and Carolin Seuring and Jonas A. Sellberg and Marcin Sikorski and Alessandro Silenzi and Stephan Stern and Jola Sztuk-Dambietz and Janusz Szuba and Martin Trebbin and Patrick Vagovic and Thomas Ve and Britta Weinhausen and Krzysztof Wrona and Paul Lourdu Xavier and Chen Xu and Oleksandr Yefanov and Keith A. Nugent and Henry N. Chapman and Adrian P. Mancuso and Anton Barty and Brian Abbey and Connie Darmanin

Citation

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., … Darmanin, C. (2022). Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nature Communications, 13(1). https://doi.org/10.1038/s41467-022-32434-6

Abstract

AbstractThe 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.

DOI

http://dx.doi.org/10.1038/s41467-022-32434-6