Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations

B. Pedrini (Corresponding Author), A. Menzel, M. Guizar-Sicairos, V.A. Guzenko, Sergey Gorelick, C. David, B.D. Patterson, R. Abela

Research output: Contribution to journalArticleScientificpeer-review

33 Citations (Scopus)

Abstract

Knowledge of the structure of biological macromolecules, especially in their native environment, is crucial because of the close structure–function relationship. X-ray small-angle scattering is used to determine the shape of particles in solution, but the achievable resolution is limited owing to averaging over particle orientations. In 1977, Kam proposed to obtain additional structural information from the cross-correlation of the scattering intensities. Here we develop the method in two dimensions, and give a procedure by which the single-particle diffraction pattern is extracted in a model-independent way from the correlations. We demonstrate its application to a large set of synchrotron X-ray scattering images on ensembles of identical, randomly oriented particles of 350 or 200 nm in size. The obtained 15 nm resolution in the reconstructed shape is independent of the number of scatterers. The results are discussed in view of proposed ‘snapshot’ scattering by molecules in the liquid phase at X-ray free-electron lasers.
Original languageEnglish
Article number1647
JournalNature Communications
Volume4
DOIs
Publication statusPublished - 2013
MoE publication typeA1 Journal article-refereed

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X ray scattering
cross correlation
X-Rays
Scattering
X ray lasers
Free electron lasers
Synchrotrons
Macromolecules
scattering
Small Angle Scattering
Diffraction patterns
x rays
Molecules
Liquids
Lasers
Electrons
macromolecules
free electron lasers
synchrotrons
liquid phases

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Pedrini, B., Menzel, A., Guizar-Sicairos, M., Guzenko, V. A., Gorelick, S., David, C., ... Abela, R. (2013). Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations. Nature Communications, 4, [1647]. https://doi.org/10.1038/ncomms2622
Pedrini, B. ; Menzel, A. ; Guizar-Sicairos, M. ; Guzenko, V.A. ; Gorelick, Sergey ; David, C. ; Patterson, B.D. ; Abela, R. / Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations. In: Nature Communications. 2013 ; Vol. 4.
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Pedrini, B, Menzel, A, Guizar-Sicairos, M, Guzenko, VA, Gorelick, S, David, C, Patterson, BD & Abela, R 2013, 'Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations', Nature Communications, vol. 4, 1647. https://doi.org/10.1038/ncomms2622

Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations. / Pedrini, B. (Corresponding Author); Menzel, A.; Guizar-Sicairos, M.; Guzenko, V.A.; Gorelick, Sergey; David, C.; Patterson, B.D.; Abela, R.

In: Nature Communications, Vol. 4, 1647, 2013.

Research output: Contribution to journalArticleScientificpeer-review

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AU - Pedrini, B.

AU - Menzel, A.

AU - Guizar-Sicairos, M.

AU - Guzenko, V.A.

AU - Gorelick, Sergey

AU - David, C.

AU - Patterson, B.D.

AU - Abela, R.

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AB - Knowledge of the structure of biological macromolecules, especially in their native environment, is crucial because of the close structure–function relationship. X-ray small-angle scattering is used to determine the shape of particles in solution, but the achievable resolution is limited owing to averaging over particle orientations. In 1977, Kam proposed to obtain additional structural information from the cross-correlation of the scattering intensities. Here we develop the method in two dimensions, and give a procedure by which the single-particle diffraction pattern is extracted in a model-independent way from the correlations. We demonstrate its application to a large set of synchrotron X-ray scattering images on ensembles of identical, randomly oriented particles of 350 or 200 nm in size. The obtained 15 nm resolution in the reconstructed shape is independent of the number of scatterers. The results are discussed in view of proposed ‘snapshot’ scattering by molecules in the liquid phase at X-ray free-electron lasers.

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