Figure 10. Comparison of experimental SAXS/WAXS and SANS curves for the EI-HPr complex with the calculated curves for the simulated annealing structures obtained by refinement against the SAXS and RDC data.

(A) SAXS/WAXS and (B) Contrast-matched SANS. The SANS data were recorded on a ²H-EI/¹H-HPr sample in matched 40.4% D₂O so that the SANS curve depends only on the coordinates of the EI component of the complex. The experimental data is shown in black with grey vertical bars equal to 1 s.d.; the calculated curves for the final 100 simulated annealing structures are shown in red for cluster 1(33 structures) and blue for cluster 2 (67 structures). The residuals, given by $(I_i^{\mathit{\text{calc}}}-I_i^{\mathit{\text{obs}}})/{\mathit{\text{err}}}_i$, are plotted above each panel. The structures were determined by fitting the SAXS curve in the range q ≤ 0.44 Å^-1, and the upper end of this range is indicated by the vertical dashed black line in panel A.