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. 2009 Oct 14;106(44):18474–18478. doi: 10.1073/pnas.0909149106

Table 1.

EXAFS fitting results for ΔnifH MoFe protein samples matured for varying lengths of time

Incubation time, min Fe-S
Fe-Fe (short)
Fe- Fe (long)
ΔE0, eV Error
N R, Å σ2, Å2 N R, Å σ2, Å2 N R, Å σ2, Å2
0 3.50 2.30 0.0060 0.50 2.49 0.0040 2.50 2.70 0.0119 −12.7 0.352
5 3.50 2.31 0.0054 1.00 2.52 0.0065 2.25 2.73 0.0099 −12.0 0.303
20 3.50 2.31 0.0054 1.00 2.52 0.0063 2.25 2.72 0.0104 −12.6 0.323
60 3.50 2.32 0.0048 1.50 2.55 0.0116 1.75 2.77 0.0100 −10.8 0.332
120 3.50 2.32 0.0051 1.50 2.55 0.0094 1.75 2.76 0.0097 −10.8 0.336

The data were fit over the k range 2 to 15.7 Å−1. The variables are coordination number, N; interatomic distance, R (Å); mean-square thermal and static deviation in R, σ2 (Å2); and the shift in the threshold energy, ΔE0 (eV). R, σ2, and ΔE0 were allowed to float during the fitting process in which N was systematically varied; a single ΔE0 was used for each fit. The estimated uncertainties in R and σ2 are ± 0.02 and ± 0.0001 Å2, respectively (30). There is a 10–20% uncertainty in N (31). Error is reported as F/no. of points, where F = [Σk6exptl − χcalcd)2/ Σk6χexptl2] (27).