Table 4. Copper-to-ligand coordination distances and occupancies for the three copper sites in Cg L determined at different pH values.

	T1 Cu		T2 Cu	T3 Cu
pH	Distance (Å)	Occupancy	Occupancy	CuA–CuB distance (Å)	Occupancy	Coordinate error (maximum-likelihood-based) (Å)
4.0	His415 N–Cu, 2.0	0.3	—	4.5	A = 0.8, B = 0.7	0.14
	His476 N–Cu, 2.6
	Cys471 Sγ–Cu, 2.2
5.5	His415 N–Cu, 2.0	0.7	0.46	5.0	A = 0.8, B = 0.8	0.05
	His476 N–Cu, 2.1
	Cys471 Sγ–Cu, 2.2
7.0	His415 N–Cu, 2.0	0.60	0.31	4.8	A = 0.8, B = 0.6	0.12
	His476 N–Cu, 2.1
	Cys471 Sγ–Cu, 2.1