Record Details

Title:
Start-to-End X-ray Free-Electron Laser Simulation of a Single Particle Experiment
Affiliation(s):
EuXFEL staff, Other
Author group:
Instrument SPB/SFX
X-Ray Optics
Topic:
Scientific area:
Abstract:
In a single particle coherent diffractive imaging experiment using an X-ray Free-electron laser (XFEL), a diffraction pattern from a single biomolecule may be captured by an ultrafast and extremely bright pulse before the onset of significant radiation damage. If single particle experiments become a reality, it will enable structure determination of non-crystallizable proteins in their native state at room temperature. We describe a start-to-end simulation workflow of a single particle experiment and the data interface. It has a modularized workflow which includes models of the FEL source, propagation optics, photon-matter interaction, diffraction process and electron density reconstruction. An example simulation of Nitrogenase Iron Protein from Azotobacter Vinelandii (PDB: 2NIP) at the SPB instrument, European XFEL [2] is used to demonstrate the key features of our start-to-end simulation workflow. The workflow will be used for 1) evaluation of the end-station design, 2) identification of critical elements in single particle imaging, and ultimately 3) evaluation of experimental feasibility for our users.
Imprint:
2015
Language(s):
English
Conference information:
12th International Conference on Synchrotron Radiation Instrumentation, New York, 2015-07-06, 2015-07-10, SRI 2015


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 Record created 2019-08-12, last modified 2019-08-12

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