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
相关论文
共 50 条
  • [31] Focusing of X-ray free-electron laser pulses with reflective optics
    Yumoto H.
    Mimura H.
    Koyama T.
    Matsuyama S.
    Tono K.
    Togashi T.
    Inubushi Y.
    Sato T.
    Tanaka T.
    Kimura T.
    Yokoyama H.
    Kim J.
    Sano Y.
    Hachisu Y.
    Yabashi M.
    Ohashi H.
    Ohmori H.
    Ishikawa T.
    Yamauchi K.
    Nature Photonics, 2013, 7 (1) : 43 - 47
  • [32] Dynamical diffraction of ultrashort X-ray free-electron laser pulses
    Shastri, SD
    Zambianchi, P
    Mills, DM
    JOURNAL OF SYNCHROTRON RADIATION, 2001, 8 (05) : 1131 - 1135
  • [33] Simple convergent-nozzle aerosol injector for single-particle diffractive imaging with X-ray free-electron lasers
    Kirian, R. A.
    Awel, S.
    Eckerskorn, N.
    Fleckenstein, H.
    Wiedorn, M.
    Adriano, L.
    Bajt, S.
    Barthelmess, M.
    Bean, R.
    Beyerlein, K. R.
    Chavas, L. M. G.
    Domaracky, M.
    Heymann, M.
    Horke, D. A.
    Knoska, J.
    Metz, M.
    Morgan, A.
    Oberthuer, D.
    Roth, N.
    Sato, T.
    Xavier, P. L.
    Yefanov, O.
    Rode, A. V.
    Kuepper, J.
    Chapman, H. N.
    STRUCTURAL DYNAMICS-US, 2015, 2 (04):
  • [34] Focusing of X-ray free-electron laser pulses with reflective optics
    Yumoto, Hirokatsu
    Mimura, Hidekazu
    Koyama, Takahisa
    Matsuyama, Satoshi
    Tono, Kensuke
    Togashi, Tadashi
    Inubushi, Yuichi
    Sato, Takahiro
    Tanaka, Takashi
    Kimura, Takashi
    Yokoyama, Hikaru
    Kim, Jangwoo
    Sano, Yasuhisa
    Hachisu, Yousuke
    Yabashi, Makina
    Ohashi, Haruhiko
    Ohmori, Hitoshi
    Ishikawa, Tetsuya
    Yamauchi, Kazuto
    NATURE PHOTONICS, 2013, 7 (01) : 43 - 47
  • [35] Three-dimensional structure determination of gold nanotriangles in solution using X-ray free-electron laser single-particle analysis
    Nakano, Miki
    Miyashita, Osamu
    Joti, Yasumasa
    Suzuki, Akihiro
    Mitomo, Hideyuki
    Niida, Yoshiya
    Yang, Ying
    Yumoto, Hirokatsu
    Koyama, Takahisa
    Tono, Kensuke
    Ohashi, Haruhiko
    Yabashi, Makina
    Ishikawa, Tetsuya
    Bessho, Yoshitaka
    Ijiro, Kuniharu
    Nishino, Yoshinori
    Tama, Florence
    OPTICA, 2022, 9 (07): : 776 - 784
  • [36] Crystallography using an X-ray free-electron laser
    Patterson, Bruce D.
    CRYSTALLOGRAPHY REVIEWS, 2014, 20 (04) : 242 - 294
  • [37] Ultra-efficient ionization of heavy atoms by intense X-ray free-electron laser pulses
    Rudek, Benedikt
    Son, Sang-Kil
    Foucar, Lutz
    Epp, Sascha W.
    Erk, Benjamin
    Hartmann, Robert
    Adolph, Marcus
    Andritschke, Robert
    Aquila, Andrew
    Berrah, Nora
    Bostedt, Christoph
    Bozek, John
    Coppola, Nicola
    Filsinger, Frank
    Gorke, Hubert
    Gorkhover, Tais
    Graafsma, Heinz
    Gumprecht, Lars
    Hartmann, Andreas
    Hauser, Guenter
    Herrmann, Sven
    Hirsemann, Helmut
    Holl, Peter
    Hoemke, Andre
    Journel, Loic
    Kaiser, Christian
    Kimmel, Nils
    Krasniqi, Faton
    Kuehnel, Kai-Uwe
    Matysek, Michael
    Messerschmidt, Marc
    Miesner, Danilo
    Moeller, Thomas
    Moshammer, Robert
    Nagaya, Kiyonobu
    Nilsson, Bjoern
    Potdevin, Guillaume
    Pietschner, Daniel
    Reich, Christian
    Rupp, Daniela
    Schaller, Gerhard
    Schlichting, Ilme
    Schmidt, Carlo
    Schopper, Florian
    Schorb, Sebastian
    Schroeter, Claus-Dieter
    Schulz, Joachim
    Simon, Marc
    Soltau, Heike
    Strueder, Lothar
    NATURE PHOTONICS, 2012, 6 (12) : 858 - 865
  • [38] Ultra-efficient ionization of heavy atoms by intense X-ray free-electron laser pulses
    Benedikt Rudek
    Sang-Kil Son
    Lutz Foucar
    Sascha W. Epp
    Benjamin Erk
    Robert Hartmann
    Marcus Adolph
    Robert Andritschke
    Andrew Aquila
    Nora Berrah
    Christoph Bostedt
    John Bozek
    Nicola Coppola
    Frank Filsinger
    Hubert Gorke
    Tais Gorkhover
    Heinz Graafsma
    Lars Gumprecht
    Andreas Hartmann
    Günter Hauser
    Sven Herrmann
    Helmut Hirsemann
    Peter Holl
    André Hömke
    Loic Journel
    Christian Kaiser
    Nils Kimmel
    Faton Krasniqi
    Kai-Uwe Kühnel
    Michael Matysek
    Marc Messerschmidt
    Danilo Miesner
    Thomas Möller
    Robert Moshammer
    Kiyonobu Nagaya
    Björn Nilsson
    Guillaume Potdevin
    Daniel Pietschner
    Christian Reich
    Daniela Rupp
    Gerhard Schaller
    Ilme Schlichting
    Carlo Schmidt
    Florian Schopper
    Sebastian Schorb
    Claus-Dieter Schröter
    Joachim Schulz
    Marc Simon
    Heike Soltau
    Lothar Strüder
    Nature Photonics, 2012, 6 : 858 - 865
  • [39] Interaction of short x-ray pulses with low-Z x-ray optics materials at the LCLS free-electron laser
    Hau-Riege, S. P.
    London, R. A.
    Graf, A.
    Baker, S. L.
    Soufli, R.
    Sobierajski, R.
    Burian, T.
    Chalupsky, J.
    Juha, L.
    Gaudin, J.
    Krzywinski, J.
    Moeller, S.
    Messerschmidt, M.
    Bozek, J.
    Bostedt, C.
    OPTICS EXPRESS, 2010, 18 (23): : 23933 - 23938
  • [40] A predicted model-aided one-step classification-multireconstruction algorithm for X-ray free-electron laser single-particle imaging
    Jiao, Zhichao
    Geng, Zhi
    Ding, Wei
    IUCRJ, 2024, 11 : 891 - 900