Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

Mendez, Derek; Watkins, Herschel; Qiao, Shenglan; Raines, Kevin S.; Lane, Thomas J.; Schenk, Gundolf; Nelson, Garrett; Subramanian, Ganesh; Tono, Kensuke; Joti, Yasumasa; Yabashi, Makina; Ratner, Daniel; Doniach, Sebastian

doi:10.1107/S2052252516013956

Title: Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

Journal Article · Mon Sep 26 00:00:00 EDT 2016 · IUCrJ

DOI:https://doi.org/10.1107/S2052252516013956· OSTI ID:1348987

Mendez, Derek ^[1]; Watkins, Herschel ^[1]; Qiao, Shenglan ^[1]; Raines, Kevin S. ^[1]; Lane, Thomas J. ^[2]; Schenk, Gundolf ^[1]; Nelson, Garrett ^[3]; Subramanian, Ganesh ^[3]; Tono, Kensuke ^[4]; Joti, Yasumasa ^[4]; Yabashi, Makina ^[5]; Ratner, Daniel ^[2]; Doniach, Sebastian ^[6]

Stanford Univ., Stanford, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Arizona State Univ., Tempe, AZ (United States)
Japan Synchrotron Radiation Research Institute (JASRI) (Japan)
RIKEN SPring-8 Center (Japan)
Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

During X-ray exposure of a molecular solution, photons scattered from the same molecule are correlated. If molecular motion is insignificant during exposure, then differences in momentum transfer between correlated photons are direct measurements of the molecular structure. In conventional small- and wide-angle solution scattering, photon correlations are ignored. This report presents advances in a new biomolecular structural analysis technique, correlated X-ray scattering (CXS), which uses angular intensity correlations to recover hidden structural details from molecules in solution. Due to its intense rapid pulses, an X-ray free electron laser (XFEL) is an excellent tool for CXS experiments. A protocol is outlined for analysis of a CXS data set comprising a total of half a million X-ray exposures of solutions of small gold nanoparticles recorded at the Spring-8 Ångström Compact XFEL facility (SACLA). From the scattered intensities and their correlations, two populations of nanoparticle domains within the solution are distinguished: small twinned, and large probably non-twinned domains. Finally, it is shown analytically how, in a solution measurement, twinning information is only accessible via intensity correlations, demonstrating how CXS reveals atomic-level information from a disordered solution of like molecules.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1348987

Journal Information:: IUCrJ, Vol. 3, Issue 6; ISSN 2052-2525

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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Title: Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

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