Figure 1
MetC187 in PDB entry 3phe
is shown in (a) as originally refined in CNX, with only a selection of H atoms added for clarity. Clashes between the terminal methyl group of the methionine and two other residues are shown as orange dashed lines. These close interactions were tolerated during the original refinement as a united-atom model. In (b) the location of the methyl group after PrimeX refinement is shown, where no clashes involving the methyl group were observed. The electron-density grid for this region is contoured at 1.0σ from a 2Fo − Fc composite OMIT map. |