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Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser.

ABSTRACT: Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Electron Laser. It is found that the optimal pulse duration for molecules with a few thousand atoms at 5?keV lies between 3 and 9?fs.

SUBMITTER: Fortmann-Grote C

PROVIDER: S-EPMC5619849 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature

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Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser.

Fortmann-Grote Carsten C Buzmakov Alexey A Jurek Zoltan Z Loh Ne-Te Duane ND Samoylova Liubov L Santra Robin R Schneidmiller Evgeny A EA Tschentscher Thomas T Yakubov Sergey S Yoon Chun Hong CH Yurkov Michael V MV Ziaja-Motyka Beata B Mancuso Adrian P AP

IUCrJ 20170901 Pt 5

Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Elec ...[more]

PMID: 28989713

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