Paper
17 October 2012 Modeling of XFEL induced ionization and atomic displacement in protein nanocrystals
Carl Caleman, Nicusor Tîmneanu, Andrew V. Martin, Thomas A. White, Howard A. Scott, Anton Barty, Andrew Aquila, Henry N. Chapman
Author Affiliations +
Abstract
X-ray free-electron lasers enable high-resolution imaging of biological materials by using short enough pulses to outrun many of the effects of radiation damage. Experiments conducted at the LCLS have obtained diffraction data from single particles and protein nanocrystals at doses to the sample over 3 GGy. The details of the interaction of the X-ray FEL pulse with the sample determine the limits of this new paradigm for imaging. Recent studies suggest that in the case of crystalline samples, such as protein nanocrystals, the atomic displacements and loss of bound electrons in the crystal (due to the high X- ray intensity) has the effect of gating the diffraction signal, and hence making the experiment less radiation sensitive. Only the incident photon intensity in the first part of the pulse, before the Bragg diffraction has died out, is relevant to acquiring signal and the rest of the pulse will mainly contribute to a diffuse background. In this work we use a plasma based non-local thermodynamic equilibrium code to explore the displacement and the ionization of a protein nanocrystal at various X-ray wavelengths and intensities.
© (2012) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Carl Caleman, Nicusor Tîmneanu, Andrew V. Martin, Thomas A. White, Howard A. Scott, Anton Barty, Andrew Aquila, and Henry N. Chapman "Modeling of XFEL induced ionization and atomic displacement in protein nanocrystals", Proc. SPIE 8504, X-Ray Free-Electron Lasers: Beam Diagnostics, Beamline Instrumentation, and Applications, 85040H (17 October 2012); https://doi.org/10.1117/12.929294
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CITATIONS
Cited by 3 scholarly publications.
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KEYWORDS
X-rays

Ionization

Proteins

Crystals

Electrons

Free electron lasers

Plasma

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