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Optics Express

Optics Express

  • Editor: C. Martijn de Sterke
  • Vol. 18, Iss. 6 — Mar. 15, 2010
  • pp: 5713–5723

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

Optics Express, Vol. 18, Issue 6, pp. 5713-5723 (2010)

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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

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

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)

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