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.
@article{osti_1959536,
author = {Holmes, Susannah and Kirkwood, Henry J. and Bean, Richard and Giewekemeyer, Klaus and Martin, Andrew V. and Hadian-Jazi, Marjan and Wiedorn, Max O. and Oberthür, Dominik and Marman, Hugh and Adriano, Luigi and others},
title = {Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers},
annote = {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.},
doi = {10.1038/s41467-022-32434-6},
url = {https://www.osti.gov/biblio/1959536},
journal = {Nature Communications},
issn = {ISSN 2041-1723},
number = {1},
volume = {13},
place = {United States},
publisher = {Nature Publishing Group},
year = {2022},
month = {08}}
Coherent X-ray Imaging Data Bank (Lawrence Berkeley National Laboratory); CFEL, European XFEL, DESY, Uppsala University, Heidelberg Universityhttps://doi.org/10.11577/1721364
Coherent X-ray Imaging Data Bank (Lawrence Berkeley National Laboratory); La Trobe University, Stockholm University SLAChttps://doi.org/10.11577/1767965