title: Femtosecond protein nanocrystallography-data analysis methods.
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.
authors.affiliation: Department of Physics, Arizona State University, Tempe, Arizona 85287 USA.
authors.forename: Richard A
authors.initials: RA
authors.lastname: Kirian
authors.forename: Xiaoyu
authors.initials: X
authors.lastname: Wang
authors.forename: Uwe
authors.initials: U
authors.lastname: Weierstall
authors.forename: Kevin E
authors.initials: KE
authors.lastname: Schmidt
authors.forename: John C H
authors.initials: JC
authors.lastname: Spence
authors.forename: Mark
authors.initials: M
authors.lastname: Hunter
authors.forename: Petra
authors.initials: P
authors.lastname: Fromme
authors.forename: Thomas
authors.initials: T
authors.lastname: White
authors.forename: Henry N
authors.initials: HN
authors.lastname: Chapman
authors.forename: James
authors.initials: J
authors.lastname: Holton
mesh_terms: D000465:Algorithms; D010363:Pattern Recognition, Automated / Q000379:methods*; D045331:Photosystem I Protein Complex / Q000648:ultrastructure*; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D045331:Photosystem I Protein Complex
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