Table 3. Distance (Å) between Fe atoms (Fe_p and Fe_d) and atoms from metal-ligand residues.

Values in parentheses correspond to the equivalent distances in chain B.

Distance (Å)	D52Koxi	D52Kred	S262Yoxi	S262Yred	D52K/S262Yoxi	D52K/S262Yred	D52KKr
Fep–His79 NE2	2.4 (2.5)	2.4 (2.4)	2.7 (2.9)	2.4 (2.5)	2.5 (2.5)	2.4 (2.4)	2.4 (2.4)
Fep–Glu81 OE1	2.0 (2.0)	2.1 (2.1)	1.9 (1.9)	1.7 (1.8)	2.0 (2.0)	1.9 (2.0)	1.9 (1.9)
Fep–His147 NE2	2.2 (2.3)	2.2 (2.3)	2.6 (2.8)	2.4 (2.5)	2.4 (2.4)	2.4 (2.3)	2.3 (2.4)
Fep–Asp166 OD2	2.1 (2.1)	2.0 (2.1)	2.1 (2.2)	2.1 (2.1)	2.1 (2.2)	2.0 (2.2)	2.1 (2.2)
Fep–μOH	1.8 (1.9)	1.9 (2.1)	2.1 (2.1)	2.2 (2.4)	2.0 (2.0)	2.0 (2.2)	1.9 (2.0)
Fep–O2 O	2.8 (3.0)	3.0 (3.0)	3.1 (3.2)	3.2 (3.3)	3.0 (3.1)	2.9 (3.2)	3.2 (3.2)
Fed–Asp83 OD2	2.4 (2.5)	2.4 (2.4)	2.3 (2.3)	2.4 (2.4)	2.5 (2.6)	2.3 (2.4)	2.4 (2.5)
Fed–His84 NE2	2.0 (2.1)	2.0 (2.1)	2.2 (2.2)	2.1 (2.1)	2.1 (2.2)	2.0 (2.1)	2.1 (2.1)
Fed–Asp166 OD1	2.3 (2.3)	2.2 (2.3)	2.5 (2.7)	2.3 (2.4)	2.3 (2.3)	2.4 (2.4)	2.4 (2.5)
Fed–His227 NE2	2.2 (2.2)	2.1 (2.2)	2.2 (2.2)	2.2 (2.3)	2.2 (2.1)	2.1 (2.2)	2.2 (2.1)
Fed–μOH	1.9 (1.9)	2.0 (2.2)	1.7 (1.7)	1.8 (1.8)	1.7 (1.8)	2.0 (2.1)	1.9 (2.0)
Fed–O2 O	3.0 (3.0)	2.7 (2.8)	2.5 (2.7)	2.6 (2.9)	2.8 (2.9)	2.4 (2.4)	3.2 (3.1)
Fep–Fed	3.3 (3.4)	3.7 (3.7)	3.6 (3.6)	3.6 (3.7)	3.4 (3.4)	3.6 (3.6)	3.4 (3.4)