Figure 7. Agreement between models from x-ray scattering and diffraction data.

(a) Adjustment of the experimental SAXS profile of MICAL_MO-CH (black scattered points) by the calculated profile (red solid line) of the crystal structure option 1 (green solid line). (b) Top and side view of the fitting of the ab-initio envelope by the crystal structure of MICAL_MO-CH option 1. (c) Adjustment of the same experimental profile (scattered points) by the crystal structure model refined by Sasref (ATSAS) against the SAXS data. (d) Top and side view of Sasref-refined model fitting of the ab-initio envelop. The experimental scattering profile was obtained using the average scattering of three different exposures (0.5, 1, and 2 sec) of a solution of MICAL_MO-CH at 7 mg/ml. All the theoretical profiles were generated using FoXS⁴²,⁴³. Ab-initio envelope fitting was performed using Supcomb (ATSAS) with “native 1” structure enabling the enantiomorphism option.