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. 2016 Sep 1;22(6):446–460. doi: 10.1089/mdr.2016.0050

FIG. 1.

FIG. 1.

SAXS analysis of N-LmGpsB. (A) SAXS scattering curves (top), Guinier plots (middle), and pair distribution functions (bottom) for N-LmGpsB. The experimentally observed scattering curve is shown as a black solid line and the scattering curve, calculated from the coordinates with CRYSOL (42), as a red dashed line. The chi-squared value for the agreement between the two curves in the q range 0–0.25 Å−1 is 1.8. For the pair distribution function of the N-LmGpsB, the red dashed plot represents the profile calculated from the coordinates with the ScÅtter software. (B) SAXS-derived ab-initio dummy atom models of N-LmGpsB calculated with DAMMIN from small-angle X-ray scattering profiles. Representative models are shown from three independent DAMMIN calculations. The dummy atom model is shown in surface representation rendered in mesh. The coordinates of the N-LmGpsB dimer (red) have been manually docked inside the mesh, represented either in ribbon form or as the equivalent electron density maps would appear at 25 Å. SAXS, small-angle X-ray scattering.