Figure 3.

The damage-free T1Cu site in the SF-ROX structures of AcNiR in (a) oxidized, (b) reduced and (c) nitrite-bound forms. 2F _o − F _c electron density is contoured at the 1σ level and is shown as a grey mesh. Atoms are coloured by element. The T1Cu is shown as a dark blue sphere and water molecules are shown as small red spheres. Metal-coordinating bonds are shown as red dotted lines. Selected hydrogen bonds are shown as black dotted lines.