Table 2. Copper-site geometries.

	SF-ROX	SRXRS	SRXRS (PDB entry 1oe1)
T1Cu site distances (Å)
T1Cu–His89 Nδ1	1.96	2.11	2.02
T1Cu–Cys130 Sγ	2.08	2.11	2.20
T1Cu–His139 Nδ1	1.96	2.02	2.03
T1Cu–Met144 Sδ	2.72	2.75	2.45/4.26
T1Cu site angles (°)
His89 Nδ1–Cu–Cys130 Sγ	131.7	125.6	121.5
His89 Nδ1–Cu–His139 Nδ1	99.9	103.6	100.5
His89 Nδ1–Cu–Met144 Sδ	84.3	82.4	88.4/87.5
Cys130 Sγ–Cu–His139 Nδ1	119.5	122.5	113.9
Cys130 Sγ–Cu–Met144 Sδ	105.8	106.2	113.5/107.1
His139 Nδ1–Cu–Met144 Sδ	109.0	108.4	116.4/124.7
T2Cu site distances (Å)
T2Cu–His94 Nδ2	2.04	2.04	1.96
T2Cu–His129 Nδ2	2.02	2.01	2.00
T2Cu–His300 Nδ2	2.06	2.09	2.00
T2Cu–Wat1		1.72	1.98
T2Cu–Oxy1	2.65
T2Cu–Oxy2	1.81
Asp92 Oδ2–Oxy1	2.55
His249 Nδ2–Oxy1	2.24
T1Cu site angles (°)
His94 Nδ2–T2Cu–His129 Nδ2	104.8	108.2	110.9
His94 Nδ2–T2Cu–His300 Nδ2	100.0	106.4	103.6
His129 Nδ2–T2Cu—His300 Nδ2	112.5	108.6	108.9
T2Cu–His3 ligand plane (Å)	0.75	0.74	0.72