title: Five-dimensional crystallography.
abstract: A method for determining a comprehensive chemical kinetic mechanism in macromolecular reactions is presented. The method is based on five-dimensional crystallography, where, in addition to space and time, temperature is also taken into consideration and an analysis based on singular value decomposition is applied. First results of such a time-resolved crystallographic study are presented. Temperature-dependent time-resolved X-ray diffraction measurements were conducted on the newly upgraded BioCARS 14-ID-B beamline at the Advanced Photon Source and aimed at elucidating a comprehensive kinetic mechanism of the photoactive yellow protein photocycle. Extensive time series of crystallographic data were collected at two temperatures, 293 K and 303 K. Relaxation times of the reaction extracted from these time series exhibit measurable differences for the two temperatures, hence demonstrating that five-dimensional crystallography is feasible.
authors.affiliation: Physics Department, University of Wisconsin-Milwaukee, Milwaukee, WI, USA. m-schmidt@uwm.edu
authors.forename: Marius
authors.initials: M
authors.lastname: Schmidt
authors.forename: Tim
authors.initials: T
authors.lastname: Graber
authors.forename: Robert
authors.initials: R
authors.lastname: Henning
authors.forename: Vukica
authors.initials: V
authors.lastname: Srajer
mesh_terms: D003198:Computer Simulation; D018360:Crystallography, X-Ray; D007700:Kinetics; D046911:Macromolecular Substances / Q000737:chemistry*; D015394:Molecular Structure; D013997:Time Factors; D014961:X-Ray Diffraction
chemical_list: D046911:Macromolecular Substances