Web Release Date: March 14,
Coincidence of Dynamical Transitions in a Soluble Protein and Its Hydration Water: Direct Measurements by Neutron Scattering and MD Simulations
and
Laboratoire de Biophysique Moléculaire, Institut de Biologie Structurale, Jean Pierre EBEL, 41 rue Jules Horowitz, F-38027 Grenoble; CEA; CNRS; Université Joseph Fourier, Dipartimento di Fisica, Universita' di Perugia, Via Pascoli, 06123 Perugia, Italy, Institut Laue-Langevin, 6 rue Jules Horowitz, B.P. 156, 38042 Grenoble Cedex 9, France, and Department of Chemistry, Center for Biomembrane Systems and Institute for Surface and Interface Science, University of California, Irvine, California
Received November 21, 2007
Abstract:
The coupling between protein dynamics and hydration-water dynamics was assessed by perdeuteration, temperature-dependent neutron scattering, and molecular dynamics simulations. Mean square displacements of water and protein motions both show a broad transition at 220 K and are thus coupled. In particular, the protein dynamical transition appears to be driven by the onset of hydration-water translational motion.
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