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

被引:27
|
作者
Fortmann-Grote, Carsten [1 ]
Buzmakov, Alexey [2 ]
Jurek, Zoltan [3 ,4 ]
Loh, Ne-Te Duane [5 ,6 ,7 ]
Samoylova, Liubov [1 ]
Santra, Robin [3 ,4 ,8 ]
Schneidmiller, Evgeny A. [9 ]
Tschentscher, Thomas [1 ]
Yakubov, Sergey [9 ]
Yoon, Chun Hong [10 ]
Yurkov, Michael V. [9 ]
Ziaja-Motyka, Beata [3 ,4 ,11 ]
Mancuso, Adrian P. [1 ]
机构
[1] European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany
[2] Russian Acad Sci, FSRC Crystallog & Photon, Moscow, Russia
[3] DESY, Ctr Free Electron Laser Sci, Notkestr 85, D-22607 Hamburg, Germany
[4] Hamburg Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany
[5] Natl Univ Singapore, Ctr Bioimaging Sci, Singapore, Singapore
[6] Natl Univ Singapore, Dept Biol Sci, Singapore, Singapore
[7] Natl Univ Singapore, Dept Phys, Singapore, Singapore
[8] Univ Hamburg, Dept Phys, Jungiusstr 9, D-20355 Hamburg, Germany
[9] DESY, Notkestr 85, D-22607 Hamburg, Germany
[10] SLAC Natl Accelerator Lab, Linac Coherent Light Source, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA
[11] Polish Acad Sci, Inst Nucl Phys, Radzikowskiego 152, PL-31342 Krakow, Poland
来源
IUCRJ | 2017年 / 4卷
关键词
single-particle imaging; X-ray free-electron lasers; simulations; diffraction; scattering; DIFFRACTION PATTERNS; BIOMOLECULES; ORIENTATION; SYMMETRIES; ALGORITHMS; LIKELIHOOD; RADIATION; FRAMEWORK; DYNAMICS; CODE;
D O I
10.1107/S2052252517009496
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:560 / 568
页数:9
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