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Title: Rapid sample delivery for megahertz serial crystallography at X-ray FELs

Liquid microjets are a common means of delivering protein crystals to the focus of X-ray free-electron lasers (FELs) for serial femtosecond crystallography measurements. The high X-ray intensity in the focus initiates an explosion of the microjet and sample. With the advent of X-ray FELs with megahertz rates, the typical velocities of these jets must be increased significantly in order to replenish the damaged material in time for the subsequent measurement with the next X-ray pulse. Here in this paper, this work reports the results of a megahertz serial diffraction experiment at the FLASH FEL facility using 4.3 nm radiation. The operation of gas-dynamic nozzles that produce liquid microjets with velocities greater than 80 m s -1was demonstrated. Furthermore, this article provides optical images of X-ray-induced explosions together with Bragg diffraction from protein microcrystals exposed to trains of X-ray pulses repeating at rates of up to 4.5 MHz. Finally, the results indicate the feasibility for megahertz serial crystallography measurements with hard X-rays and give guidance for the design of such experiments.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [3] ;  [4] ;  [3] ;  [5] ;  [6] ;  [7] ;  [3] ;  [8] ;  [8] ;  [9] ;  [3] ;  [7] ;  [10] ;  [2] ;  [5] ;  [3] ;  [8] more »;  [3] ;  [3] ;  [11] ;  [12] ;  [3] ;  [13] ;  [14] ;  [13] ;  [13] ;  [7] ;  [15] ;  [9] ;  [16] ;  [1] ;  [17] ;  [6] ;  [8] ;  [1] « less
  1. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Univ. of Hamburg (Germany). Dept. of Physics; Univ. of Hamburg (Germany). Hamburg Center for Ultrafast Imaging
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Univ. of Hamburg (Germany). Hamburg Center for Ultrafast Imaging
  3. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science
  4. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Hamburg Univ. of Technology, Hamburg (Germany)
  5. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Univ. of Hamburg (Germany). Dept. of Physics
  6. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Photon Science
  7. European X-ray Free-Electron Laser (XFEL), Hamburg (Germany)
  8. Arizona State Univ., Tempe, AZ (United States)
  9. Univ. de Sevilla, Sevilla (Spain). Dept. of Aerospace Engineering and Fluid Mechanics
  10. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Max Planck Inst. of Biochemistry, Martinsried (Germany). Dept. of Cellular and Molecular Biophysics
  11. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  12. Rutgers University Newark, Newark, NJ (United States). Dept. of Physics; SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)
  13. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  14. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science, and Photon Science
  15. Arizona State Univ., Mesa, AZ (United States). Biodesign Inst., School of Life Sciences
  16. Arizona State Univ., Tempe, AZ (United States). Biodesign Inst., School of Life Sciences
  17. Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences and Engineering, Laser Physics Centre
Publication Date:
Grant/Contract Number:
AC02-76SF00515; DPI2016-78887; ERC-614507-Kupper
Type:
Accepted Manuscript
Journal Name:
IUCrJ
Additional Journal Information:
Journal Volume: 5; Journal Issue: 5; Journal ID: ISSN 2052-2525
Publisher:
International Union of Crystallography
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org:
USDOE; European Union (EU); Australian Research Council (ARC); German Research Foundation (DFG)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; X-ray free-electron lasers; FELs; X-ray FEL pulse trains; megahertz repetition rates
OSTI Identifier:
1475541

Wiedorn, Max O., Awel, Salah, Morgan, Andrew J., Ayyer, Kartik, Gevorkov, Yaroslav, Fleckenstein, Holger, Roth, Nils, Adriano, Luigi, Bean, Richard, Beyerlein, Kenneth R., Chen, Joe, Coe, Jesse, Cruz-Mazo, Francisco, Ekeberg, Tomas, Graceffa, Rita, Heymann, Michael, Horke, Daniel A., Knoška, Juraj, Mariani, Valerio, Nazari, Reza, Oberthür, Dominik, Samanta, Amit K., Sierra, Raymond G., Stan, Claudiu A., Yefanov, Oleksandr, Rompotis, Dimitrios, Correa, Jonathan, Erk, Benjamin, Treusch, Rolf, Schulz, Joachim, Hogue, Brenda G., Gañán-Calvo, Alfonso M., Fromme, Petra, Küpper, Jochen, Rode, Andrei V., Bajt, Saša, Kirian, Richard A., and Chapman, Henry N.. Rapid sample delivery for megahertz serial crystallography at X-ray FELs. United States: N. p., Web. doi:10.1107/s2052252518008369.
Wiedorn, Max O., Awel, Salah, Morgan, Andrew J., Ayyer, Kartik, Gevorkov, Yaroslav, Fleckenstein, Holger, Roth, Nils, Adriano, Luigi, Bean, Richard, Beyerlein, Kenneth R., Chen, Joe, Coe, Jesse, Cruz-Mazo, Francisco, Ekeberg, Tomas, Graceffa, Rita, Heymann, Michael, Horke, Daniel A., Knoška, Juraj, Mariani, Valerio, Nazari, Reza, Oberthür, Dominik, Samanta, Amit K., Sierra, Raymond G., Stan, Claudiu A., Yefanov, Oleksandr, Rompotis, Dimitrios, Correa, Jonathan, Erk, Benjamin, Treusch, Rolf, Schulz, Joachim, Hogue, Brenda G., Gañán-Calvo, Alfonso M., Fromme, Petra, Küpper, Jochen, Rode, Andrei V., Bajt, Saša, Kirian, Richard A., & Chapman, Henry N.. Rapid sample delivery for megahertz serial crystallography at X-ray FELs. United States. doi:10.1107/s2052252518008369.
Wiedorn, Max O., Awel, Salah, Morgan, Andrew J., Ayyer, Kartik, Gevorkov, Yaroslav, Fleckenstein, Holger, Roth, Nils, Adriano, Luigi, Bean, Richard, Beyerlein, Kenneth R., Chen, Joe, Coe, Jesse, Cruz-Mazo, Francisco, Ekeberg, Tomas, Graceffa, Rita, Heymann, Michael, Horke, Daniel A., Knoška, Juraj, Mariani, Valerio, Nazari, Reza, Oberthür, Dominik, Samanta, Amit K., Sierra, Raymond G., Stan, Claudiu A., Yefanov, Oleksandr, Rompotis, Dimitrios, Correa, Jonathan, Erk, Benjamin, Treusch, Rolf, Schulz, Joachim, Hogue, Brenda G., Gañán-Calvo, Alfonso M., Fromme, Petra, Küpper, Jochen, Rode, Andrei V., Bajt, Saša, Kirian, Richard A., and Chapman, Henry N.. 2018. "Rapid sample delivery for megahertz serial crystallography at X-ray FELs". United States. doi:10.1107/s2052252518008369. https://www.osti.gov/servlets/purl/1475541.
@article{osti_1475541,
title = {Rapid sample delivery for megahertz serial crystallography at X-ray FELs},
author = {Wiedorn, Max O. and Awel, Salah and Morgan, Andrew J. and Ayyer, Kartik and Gevorkov, Yaroslav and Fleckenstein, Holger and Roth, Nils and Adriano, Luigi and Bean, Richard and Beyerlein, Kenneth R. and Chen, Joe and Coe, Jesse and Cruz-Mazo, Francisco and Ekeberg, Tomas and Graceffa, Rita and Heymann, Michael and Horke, Daniel A. and Knoška, Juraj and Mariani, Valerio and Nazari, Reza and Oberthür, Dominik and Samanta, Amit K. and Sierra, Raymond G. and Stan, Claudiu A. and Yefanov, Oleksandr and Rompotis, Dimitrios and Correa, Jonathan and Erk, Benjamin and Treusch, Rolf and Schulz, Joachim and Hogue, Brenda G. and Gañán-Calvo, Alfonso M. and Fromme, Petra and Küpper, Jochen and Rode, Andrei V. and Bajt, Saša and Kirian, Richard A. and Chapman, Henry N.},
abstractNote = {Liquid microjets are a common means of delivering protein crystals to the focus of X-ray free-electron lasers (FELs) for serial femtosecond crystallography measurements. The high X-ray intensity in the focus initiates an explosion of the microjet and sample. With the advent of X-ray FELs with megahertz rates, the typical velocities of these jets must be increased significantly in order to replenish the damaged material in time for the subsequent measurement with the next X-ray pulse. Here in this paper, this work reports the results of a megahertz serial diffraction experiment at the FLASH FEL facility using 4.3 nm radiation. The operation of gas-dynamic nozzles that produce liquid microjets with velocities greater than 80 m s-1was demonstrated. Furthermore, this article provides optical images of X-ray-induced explosions together with Bragg diffraction from protein microcrystals exposed to trains of X-ray pulses repeating at rates of up to 4.5 MHz. Finally, the results indicate the feasibility for megahertz serial crystallography measurements with hard X-rays and give guidance for the design of such experiments.},
doi = {10.1107/s2052252518008369},
journal = {IUCrJ},
number = 5,
volume = 5,
place = {United States},
year = {2018},
month = {7}
}

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