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. Author manuscript; available in PMC: 2011 Sep 22.
Published in final edited form as: J Am Chem Soc. 2010 Sep 22;132(37):13026–13045. doi: 10.1021/ja105485b

Figure 9. Comparison of the experimental SAXS/WAXS and SANS curves for free EI with the calculated curves for the simulated annealing structures obtained by refinement against the complete SAXS/WAXS data (q ≤ 0.8 Å-1) and RDC data.

Figure 9

(A) SAXS/WAXS and (B) SANS. The experimental data is shown in black with gray vertical bars equal to 1 s.d.; the calculated curves for the final 100 simulated annealing structures are shown in red. The residuals, given by (Iicalc−Iiobs)/erri, are plotted above each panel. The inset in panel (A) shows a best-fit superposition (fitted to the EIC domain shown in red) of the restrained regularized mean structures obtained with q ≤ 0.8 Å-1 and ≤ 0.44 Å-1 with their EIN domains shown in orange and blue, respectively. Only a single subunit of EI is displayed; the view is the same as that in Figs. 8A and B.