Figure 5.

Small-angle scattering analysis of C29S in the absence and presence of Phe. A, data were obtained by singular value decomposition-evolving factor analysis (SVD–EFA (8)) of SEC–SAXS data obtained for C29S in the presence and absence of 1 mm Phe (see under “Experimental procedures” and Figs. S2 and S3). Shown in A is a comparison of deconvoluted SAXS data for C29S without (blue) and with (red) incubation with 1 mm Phe. Data are shown as the superposed log–log plots of intensity as a function of q. Shown below this panel is a ratio plot where the discrepancy between the two profiles is highlighted as a function of 1. Identical regions have a value of 1, whereas higher discrepancies will deviate from unity. B, shape distribution function analysis for C29S in the absence (blue, resting state) and presence of 1 mm Phe (red, activated). Lower panel, ΔP(r) is shown, highlighting the change in interatomic vectors that occur upon activation of C29S with 1 mm Phe. C, complete atomistic model of C29S in the resting state derived from the crystal structure reported herein was created using NAMD, with missing inventory simulated as compacted random coil is shown in Fig. 6 (left). This model showed strong correlation with its solution scatter (χ² = 0.99 using the program CRYSOL).