Abstract
Advances in X-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining X-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for X-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution X-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states.
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Abbreviations
- DNA:
-
Deoxyribonucleic acid
- PDF:
-
Pair distribution function
- MD:
-
Molecular dynamics
- NMR:
-
Nuclear magnetic resonance
- SAXS:
-
Small angle X-ray scattering
- WAXS:
-
Wide angle X-ray scattering
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Acknowledgments
This study was supported by the Office of Science, Basic Energy Sciences, U. S. Department of Energy under contract numbers DE-AC02-06CH11357 (D.M.T. and work at APS Sector 12), National Science Foundation IL-LSAMP grant HRD-0413000, and National Institutes of Health Grant 1SC2GM083717 (K.L.M.). The software program, solX, used for coordinated based X-ray scattering calculations is available by request to D.M.T. or X.Z.
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Tiede, D.M., Mardis, K.L. & Zuo, X. X-ray scattering combined with coordinate-based analyses for applications in natural and artificial photosynthesis. Photosynth Res 102, 267–279 (2009). https://doi.org/10.1007/s11120-009-9475-6
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DOI: https://doi.org/10.1007/s11120-009-9475-6