D. Reichert, T. Zinkevich, K. Saalwächter, A. Krushelnitsky.
The relation of the X- ray B-factor to protein dynamics: insights from recent dynamic solid-state NMR data.
J. Biomol. Struct. Dyn. , accepted (2012).
In addressing the potential use of B-factors derived from X-ray scattering data of proteins for the understanding the (functional) dynamics of proteins, we present a comparison of B-factors of 4 different proteins (SH3 domain, Crh, GB1, ubiquitin and thioredoxin) with data from recent solid-state nuclear magnetic resonance (NMR) experiments reflecting true (rotational) dynamics on well-defined timescales. Apart from trivial correlations involving mobile loop regions and chain termini, we find no significant correlation of B-factors with the dynamic data on any of the investigated timescales, concluding that there is no unique and general correlation of B-factors with the internal reorientational dynamics of proteins.