Home > Publications database > Computational study of diffraction image formation from XFEL irradiated single ribosome molecule > print

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100 1 _ |a Stransky, Michal
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245 _ _ |a Computational study of diffraction image formation from XFEL irradiated single ribosome molecule
260 _ _ |a [London]
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520 _ _ |a Single particle imaging at atomic resolution is perhaps one of the most desired goals for ultrafast X-ray science with X-rayFree-Electron Lasers. Such a capability would create great opportunity within the biological sciences, as high-resolutionstructural information of biosamples that may not crystallize is essential for many research areas therein. In this paper, we reporton a comprehensive computational study of diffraction image formation during single particle imaging of a macromolecule,containing over one hundred thousand non-hydrogen atoms. For this study, we use a dedicated simulation framework, SIMEX,available at the European XFEL facility. Our results demonstrate the full feasibility of computational single-particle imagingstudies for biological samples of realistic size. This finding is important as it shows that the SIMEX platform can be usedfor simulations to inform relevant single-particle-imaging experiments and help to establish optimal parameters for theseexperiments. This will enable more focused and more efficient single-particle-imaging experiments at XFEL facilities, makingthe best use of the resource-intensive XFEL operation.
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700 1 _ |a E, Juncheng
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700 1 _ |a Jurek, Zoltan
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700 1 _ |a Santra, Robin
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700 1 _ |a Mancuso, Adrian
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