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Femtosecond protein nanocrystallography—data analysis methods
Richard A. Kirian, Xiaoyu Wang, Uwe Weierstall, Kevin E. Schmidt, John C. H. Spence, Mark Hunter, Petra Fromme, Thomas White, Henry N. Chapman, and James Holton »View Author Affiliations
1Department of Physics, Arizona State University, Tempe, Arizona 85287 USA
2Department of Biochemistry, Arizona State Unviversity, Tempe, Arizona 85287 USA
3Center for Free Electron Laser Science DESY University of Hamburg, Notkestrasse 85, 22607, Hamburg, Germany
4University of Hamburg, Luruper Chaussee 149, Hamburg 22761, Germany
5Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, California 94720 USA
6Department of Biochemistry and Biophysics, University of California, San Francisco, California 94158 USA
*Corresponding author: spence@asu.edu
Optics Express, Vol. 18, Issue 6, pp. 5713-5723 (2010)
http://dx.doi.org/10.1364/OE.18.005713
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Abstract
X-ray diffraction patterns may be obtained from individual submicron protein nanocrystals using a femtosecond pulse from a free-electron X-ray laser. Many “single-shot” patterns are read out every second from a stream of nanocrystals lying in random orientations. The short pulse terminates before significant atomic (or electronic) motion commences, minimizing radiation damage. Simulated patterns for Photosystem I nanocrystals are used to develop a method for recovering structure factors from tens of thousands of snapshot patterns from nanocrystals varying in size, shape and orientation. We determine the number of shots needed for a required accuracy in structure factor measurement and resolution, and investigate the convergence of our Monte-Carlo integration method.
© 2010 OSA
OCIS Codes
(260.1960) Physical optics : Diffraction theory
(290.5840) Scattering : Scattering, molecules
(320.7100) Ultrafast optics : Ultrafast measurements
ToC Category:
X-ray Optics
History
Original Manuscript: December 23, 2009
Revised Manuscript: February 19, 2010
Manuscript Accepted: February 20, 2010
Published: March 5, 2010
Virtual Issues
Vol. 5, Iss. 7 Virtual Journal for Biomedical Optics
Citation
Richard A. Kirian, Xiaoyu Wang, Uwe Weierstall, Kevin E. Schmidt, John C. H. Spence, Mark Hunter, Petra Fromme, Thomas White, Henry N. Chapman, and James Holton, "Femtosecond protein nanocrystallography—data analysis methods," Opt. Express 18, 5713-5723 (2010)
http://www.opticsinfobase.org/vjbo/abstract.cfm?URI=oe-18-6-5713
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