Fig. 3: Difference in Rg values from SAXS relative to SANS in H2O or D2O. | Communications Chemistry

Fig. 3: Difference in Rg values from SAXS relative to SANS in H2O or D2O.

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

Fig. 3

Difference between Rg values from SAXS and SANS/H2O (left column) or between SAXS and SANS/D2O (right column) obtained from unrestrained simulations of a, b RNaseA, c, d xylanase, and e, f glucose isomerase. Rg values were obtained with 18 different combinations of protein force fields (labels along the abscissa) and water models (color code, see legend). Experimental consensus values and uncertainties from P(r) analysis are shown as horizontal lines and shaded areas, respectively. Statistical errors denote 1 SE.

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