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Single-particle structure determination by correlations of snapshot X-ray diffraction patterns

MPS-Authors
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Doak,  R. Bruce
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Erk,  Benjamin
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Foucar,  Lutz
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Kassemeyer,  Stephan
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Lomb,  Lukas
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Nass,  Karol
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Rolles,  Daniel
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Rudek,  Benedikt
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Shoeman,  Robert L.
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Steinbrener,  Jan
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Schlichting,  Ilme
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Starodub, D., Aquila, A., Bajt, S., Barthelmess, M., Barty, A., Bostedt, C., et al. (2012). Single-particle structure determination by correlations of snapshot X-ray diffraction patterns. Nature Communications, 3: 1276, pp. 1-7. doi:10.1038/ncomms2288.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-1FA0-E
Abstract
Diffractive imaging with free−electron lasers allows structure determination from ensembles of weakly scattering identical nanoparticles. The ultra−short, ultra−bright X−ray pulses provide snapshots of the randomly oriented particles frozen in time, and terminate before the onset of structural damage. As signal strength diminishes for small particles, the synthesis of a three−dimensional diffraction volume requires simultaneous involvement of all data. Here we report the first application of a three−dimensional spatial frequency correlation analysis to carry out this synthesis from noisy single−particle femtosecond X−ray diffraction patterns of nearly identical samples in random and unknown orientations, collected at the Linac Coherent Light Source. Our demonstration uses unsupported test particles created via aerosol self−assembly, and composed of two polystyrene spheres of equal diameter. The correlation analysis avoids the need for orientation determination entirely. This method may be applied to the structural determination of biological macromolecules in solution