Fig. 2: SAS-derived Rg values of xylanase relative to Rg of the bare protein. | Communications Chemistry

Fig. 2: SAS-derived Rg values of xylanase relative to Rg of the bare protein.

From: Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data

Fig. 2

Modulations ΔRg of the SAS-derived Rg values relative to Rg of the bare protein from unrestrained simulations of xylanase, obtained with 18 different combinations of protein force field (labels along the abscissa) and water model (color code, see legend). a ΔRg from SAXS, b from SANS in H2O, and c from SANS in D2O. Statistical errors (1 SE) were obtained from block averaging. For force field abbreviations, see Table S1.

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