Intrinsic motional displacements and function in proteins.
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The mean square displacement (MSD) in Angstroms of hydrogen in the protein HS-0.4 vs temperature. The squares are the MSD observed on instruments IN16, IN13 and IN6 which depend on the instrument resolution W. The red dots are the intrinsic MSD obtained from a fit to the same data. The red solid line, the intrinsic MSD drawn through the red dots, is independent of the instrument resolution width W.
D Vural, HR Glyde, Physical Review B 86, 011926 (2012).
Research conducted at the University of Delaware
A method for determining the intrinsic mean square displacement (MSD) of hydrogen (H) in proteins from resolution dependent neutron scattering data has been developed.
Significance and Impact
The MSD of H in proteins is used as an indicator of whether proteins will function. A large MSD is associated with function. Obtaining the intrinsic, instrument independent values of the MSD in proteins is critical to accurate use of this function indicator.