TABLE 3.

Metal-ligand distances in NeNIR structures

Distance and S.D. calculated from averaging the individual molecules in the asymmetric unit.

Data set	pH 6.5	pH 8.5	Reduced
Molecules per asymmetric unit	6	3	6
Type 1 copper	Distance (Å)	Distance (Å)	Distance (Å)
His-83	2.10 ± 0.02	2.14 ± 0.01	2.21 ± 0.06
His-131	2.10 ± 0.04	2.14 ± 0.02	2.20 ± 0.07
Cys-123	2.23 ± 0.03	2.26 ± 0.04	2.30 ± 0.05
Met-136	2.48 ± 0.03	2.47 ± 0.02	2.42 ± 0.10
Type 2 copper
His-88	2.01 ± 0.04	2.03 ± 0.02	2.11 ± 0.04
His-122	2.05 ± 0.05	2.07 ± 0.02	2.12 ± 0.08
His-277	2.08 ± 0.03	2.12 ± 0.02	2.06 ± 0.08
H2O/OH	2.44 ± 0.06	2.31 ± 0.07