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

Mark S. Hunter (), Chun Hong Yoon, Hasan DeMirci, Raymond G. Sierra, E. Han Dao, Radman Ahmadi, Fulya Aksit, Andrew L. Aquila, Halilibrahim Ciftci, Serge Guillet, Matt J. Hayes, Thomas J. Lane, Meng Liang, Ulf Lundström, Jason E. Koglin, Paul Mgbam, Yashas Rao, Lindsey Zhang, Soichi Wakatsuki, James M. Holton and Sébastien Boutet
Additional contact information
Mark S. Hunter: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Chun Hong Yoon: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Hasan DeMirci: Stanford PULSE Institute, SLAC National Accelerator Laboratory
Raymond G. Sierra: Linac Coherent Light Source, SLAC National Accelerator Laboratory
E. Han Dao: Stanford PULSE Institute, SLAC National Accelerator Laboratory
Radman Ahmadi: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Fulya Aksit: Stanford PULSE Institute, SLAC National Accelerator Laboratory
Andrew L. Aquila: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Halilibrahim Ciftci: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Serge Guillet: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Matt J. Hayes: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Thomas J. Lane: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Meng Liang: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Ulf Lundström: SLAC National Accelerator Laboratory
Jason E. Koglin: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Paul Mgbam: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Yashas Rao: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Lindsey Zhang: Linac Coherent Light Source, SLAC National Accelerator Laboratory
Soichi Wakatsuki: Linac Coherent Light Source, SLAC National Accelerator Laboratory
James M. Holton: Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory
Sébastien Boutet: Linac Coherent Light Source, SLAC National Accelerator Laboratory

Nature Communications, 2016, vol. 7, issue 1, 1-5

Abstract: Abstract 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. Our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.

Date: 2016
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DOI: 10.1038/ncomms13388

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