title: E pluribus unum, no more: from one crystal, many conformations.
abstract: Several distinct computational approaches have recently been implemented to represent conformational heterogeneity from X-ray crystallography datasets that are averaged in time and space. As these modeling methods mature, newly discovered alternative conformations are being used to derive functional protein mechanisms. Room temperature X-ray data collection is emerging as a key variable for sampling functionally relevant conformations also observed in solution studies. Although concerns about radiation damage are warranted with higher temperature data collection, 'diffract and destroy' strategies on X-ray free electron lasers may permit radiation damage-free data collection. X-ray crystallography need not be confined to 'static unique snapshots'; these experimental and computational advances are revealing how the many conformations populated within a single crystal are used in biological mechanisms.
authors.affiliation: Chemistry and Chemical Biology Graduate Program, University of California, San Francisco, San Francisco, CA 94158, United States.
authors.forename: Rahel A
authors.initials: RA
authors.lastname: Woldeyes
authors.affiliation: Center for Systems and Synthetic Biology, University of California, San Francisco, San Francisco, CA 94158, United States.
authors.forename: David A
authors.initials: DA
authors.lastname: Sivak
authors.affiliation: Department of Bioengineering and Therapeutic Sciences and California Institute for Quantitative Biosciences, University of California, San Francisco, San Francisco, CA 94158, United States. Electronic address: james.fraser@ucsf.edu.
authors.forename: James S
authors.initials: JS
authors.lastname: Fraser
mesh_terms: D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation
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