Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan; Sierra, Raymond G.; Dao, E. Han; Ahmadi, Radman; Aksit, Fulya; Aquila, Andrew L.; Ciftci, Halilibrahim; Guillet, Serge; Hayes, Matt J.; Lane, Thomas J.; Liang, Meng; Lundstrom, Ulf; Koglin, Jason E.; Mgbam, Paul; Rao, Yashas; Zhang, Lindsey; Wakatsuki, Soichi; Holton, James M.; Boutet, Sebastien

doi:10.1038/ncomms13388

Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser

Journal Article · Fri Nov 04 00:00:00 EDT 2016 · Nature Communications

DOI:https://doi.org/10.1038/ncomms13388· OSTI ID:1328195

Hunter, Mark S. ^[1]; Yoon, Chun Hong ^[1]; ^[1]; Sierra, Raymond G. ^[1]; Dao, E. Han ^[1]; Ahmadi, Radman ^[1]; Aksit, Fulya ^[1]; Aquila, Andrew L. ^[1]; Ciftci, Halilibrahim ^[1]; Guillet, Serge ^[1]; Hayes, Matt J. ^[1]; Lane, Thomas J. ^[1]; Liang, Meng ^[1]; Lundstrom, Ulf ^[1]; ^[1]; Mgbam, Paul ^[1]; Rao, Yashas ^[1]; Zhang, Lindsey ^[1]; Wakatsuki, Soichi ^[1]; Holton, James M. ^[2] more »

SLAC National Accelerator Lab., Menlo Park, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Univ. of California, San Francisco, CA (United States)

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity and wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: Laboratory Directed Research and Development (SLAC LDRD); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1328195

Alternate ID(s):: OSTI ID: 1348912

Report Number(s):: SLAC-PUB--16833

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 7; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability Gorel, Alexander; Motomura, Koji; Fukuzawa, Hironobu Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00754-7	journal	October 2017
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The Single Particles, Clusters and Biomolecules and Serial Femtosecond Crystallography instrument of the European XFEL: initial installation Mancuso, Adrian P.; Aquila, Andrew; Batchelor, Lewis Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-01957	text	January 2019
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