Figure 4
The mFo − DFc electron-density difference maps of the structure with PDB code 3u7q at the +4σ (green) and −4σ (red) levels for quantum-refined structures with wA = 0.1 and occupancies of (a) 20/80%, (b) 10/90% and (c) 15/85%. The PN state is shown in atomic colours, whereas the P2+ state is shown in pale cyan |