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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.

SUBMITTER: Kirian RA

PROVIDER: S-EPMC4038330 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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Femtosecond protein nanocrystallography-data analysis methods.

Kirian Richard A RA Wang Xiaoyu X Weierstall Uwe U Schmidt Kevin E KE Spence John C H JC Hunter Mark M Fromme Petra P White Thomas T Chapman Henry N HN Holton James J

Optics express 20100301 6

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 ten ...[more]

PMID: 20389587

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Femtosecond X-ray protein nanocrystallography.

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