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Figure 2
(a) Experimental SAXS profile of PDI and the P(r) function (inset). The crystal structure model of the yeast PDI is shown in the inset. The a, b, b′ and a′ domains are colored red, yellow, green and blue, respectively. (b) Distribution of the restored models in the plane spanned by the first and second PCs. The colors of dots indicate classes I–X after the classification. The averaged shape of molecular models in each class is shown. The averaged model of each class is drawn by using the Chimera program suite (Pettersen et al., 2004BB23; Goddard et al., 2007BB7). (c) Superimposition of the a, b, b′ and a′ domains in the crystal structure of yeast PDI onto the averaged models of all without classification, and of ten classes. In each superimposition, while the a–b–b′ region was treated as a rigid body, the a′ domain was placed at a position different from that in the crystal structure. The viewing directions of the models in panel (c) are the same as those in (b). (d) Comparison of the scattering profiles calculated from fitted atomic models of class I (upper) and VI (lower) in panel (c) with the experimental one (black dots).

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