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Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

Fig 8

Cross-validation with SANS data.

Simulations with either (A–D) λ = 1.00 or (E–H) λ = 1.06 were reweighted against SAXS data at several different values of θ. Agreement with (A, E) SAXS data after fitting to the SAXS data (red), or cross-validated with SANS at (B, F) 0% D₂O (black), (C, G) 42% D₂O (green), (D, H) 70% D₂O (blue).

doi: https://doi.org/10.1371/journal.pcbi.1007870.g008