Figure 4
Active sites of three PaHSS molecules with bound PUT molecules. Atomic models of PaHSS molecules [PDB entry 6y87 chain A (a), chain C (b) and chain E (c)] are depicted in ball-and-stick representation with electron-density maps as mesh. The large images show the 2mFo − DFc maps (black, 1σ) and mFo − DFc maps (green/red, ±4σ) of the complete models. Models lacking the PUT molecules were used to calculate (I) 2mFo − DFc composite omit maps including simulated annealing (black, 1σ), (II) mFo − DFc composite omit maps including simulated annealing (green/red, ±3σ) and (III) mFo − DFc polder maps (green/red, ±5σ). |