Figure 5.

Solution difference scattering of three model systems with different magnitudes of conformational changes calculated with CRYSOL (Svergun et al., 1995 ▶). The root-mean-square deviations (rmsd) for the respective conformers are shown in the panels. To evaluate the effect of displaced solvent and solvation layer scattering, two difference curves are shown: (i) atomic X-ray scattering with displaced solvent and (ii) atomic X-ray scattering with displaced solvent and solvation layer. The following structures were used (PDB codes in brackets): sperm whale deoxy myoglobin (2g0v, second state; Aranda et al., 2006 ▶), sperm whale carbonmonoxy myoglobin (2g0r; Aranda et al., 2006 ▶), human deoxy hemoglobin (2hhb) and human carbonmonoxy hemoglobin (1bbb); these structures were used without cofactors. The deinococcus radiodurans phytochrome solution structures were taken from Takala et al. (2014 ▶).