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Figure 5
Solution difference scattering of three model systems with different magnitudes of conformational changes calculated with CRYSOL (Svergun et al., 1995BB34). 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., 2006BB46), sperm whale carbonmonoxy myoglobin (2g0r; Aranda et al., 2006BB46), 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. (2014BB36).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 47| Part 4| August 2014| Pages 1190-1198
https://doi.org/10.1107/S1600576714009959
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