. Author manuscript; available in PMC: 2017 Dec 1.

Published in final edited form as: Biochemistry. 2017 Feb 23;56(9):1248–1260. doi: 10.1021/acs.biochem.6b00983

Table 1.

Ni K-Edge EXAFS Curve-Fitting Results for A_OX and A_RED

ACS	coordination/path	R (Å)^a	σ² (Å²)^b	ΔE₀ (eV)	F^c
A_OX	1 Ni–N	1.90	224	−2.64	0.36
	2.5 Ni–S	2.18	391
	0.5 Ni–Fe/Ni	2.95	578
A_RED	1 Ni–N	1.90	214	−1.41	0.42
	2.5 Ni–S	2.18	351
	0.5 Ni–Fe/Ni	2.96	347

The estimated standard deviations for the distances are on the order of ±0.02 Å.

The σ² values are multiplied by 10⁵.

The error is given by Σ[(χ_obsd − χ_calcd)²k⁶]/(N_data − N_var).

The S₀² factor was set at 1.