Fig. 6. Overlay of the electron density reconstruction from the experimental solution scattering data with the representative structures of the tandem SH2 shown in Fig. 2. The electron density reconstructed from the SAXS curve is shown as volume colored according to density. The representative structures are depicted as ribbons. N-SH2 and C-SH2 domains are colored in cyan and orange, respectively (A). Comparison of the experimental small-angle X-ray scattering (SAXS) curve (red), reported as a smoothed curve, with the calculated SAXS curves (blue) of the solution ensemble of the tandem SH2, obtained from MD simulations with the AMBER03ws (B) and the AMBER99SBws force field (C), respectively. Experimental and calculated radii of gyration (Rg) are reported in each panel.
