Figure 2.

Scattering data and ab initio modelling using DAMMIF. Experimentally derived small angle x-ray scattering (SAXS) (A) and small angle neutron scattering (SANS) (B) data for EDIII plotted (in red) against simulated data from the polynomial expansions of protein structures and interactions (PEPSI) server (blue dots) [29], normalised Kratky analysis displayed as inset. PEPSI modelling was carried out using PDB code 6FLB (with Fab removed). Ab initio shape models of EDIII at pH 7.5 ((C), χ² = 2.46) and 5.5 ((D), χ² = 1.995) from the SANS data are represented as a light red mesh (modelled with DAMMIF [32]) with a high-resolution X-ray diffraction structure (PDB code 6FLA) manually placed within.