A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography
Abstract
In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF, in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beamsmore »
- Authors:
-
- Imperial College, London (United Kingdom)
- European X-Ray Free-Electron Laser Facility, Hamburg (Germany)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1191267
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Structural Dynamics
- Additional Journal Information:
- Journal Volume: 2; Journal Issue: 1; Journal ID: ISSN 2329-7778
- Publisher:
- American Crystallographic Association/AIP
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
van Thor, Jasper J., and Madsen, Anders. A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography. United States: N. p., 2015.
Web. doi:10.1063/1.4906354.
van Thor, Jasper J., & Madsen, Anders. A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography. United States. https://doi.org/10.1063/1.4906354
van Thor, Jasper J., and Madsen, Anders. Thu .
"A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography". United States. https://doi.org/10.1063/1.4906354. https://www.osti.gov/servlets/purl/1191267.
@article{osti_1191267,
title = {A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography},
author = {van Thor, Jasper J. and Madsen, Anders},
abstractNote = {In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF, in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.},
doi = {10.1063/1.4906354},
journal = {Structural Dynamics},
number = 1,
volume = 2,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}
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text, January 2013
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Works referencing / citing this record:
Various damage mechanisms in carbon and silicon materials under femtosecond X-ray irradiation
text, January 2018
- Medvedev, Nikita; Tkachenko, Viktor; Lipp, Vladimir
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics
journal, September 2019
- van Thor, Jasper J.
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Photon Beam Transport and Scientific Instruments at the European XFEL
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Development of a hard X-ray split-and-delay line and performance simulations for two-color pump-probe experiments at the European XFEL
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Single-shot Monitoring of Ultrafast Processes via X-ray Streaking at a Free Electron Laser
text, January 2017
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Development of a hard X-ray split-and-delay line and performance simulations for two-color pump-probe experiments at the European XFEL
text, January 2018
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Single-shot Monitoring of Ultrafast Processes via X-ray Streaking at a Free Electron Laser
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Various damage mechanisms in carbon and silicon materials under femtosecond X-ray irradiation
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Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics
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- van Thor, Jasper J.
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Single-shot Monitoring of Ultrafast Processes via X-ray Streaking at a Free Electron Laser
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- Buzzi, Michele; Makita, Mikako; Howald, Ludovic
- Deutsches Elektronen-Synchrotron, DESY, Hamburg