TABLE 4.

EXAFS analysis of recombinant and Mn-substituted DNPEP^a

^a r is in units of Å; σ² is in units of 10⁻³ Ų; ΔE₀ is in units of eV. All fits are to unfiltered EXAFS data, as follows: ZnZn-DNPEP, Fourier transform range of k = 1.5–12.5 Å⁻¹ (resolution = 0.143 Å); Mn-activated DNPEP (Zn K-edge), Fourier transform range of k = 1.5–13.0 Å⁻¹ (resolution = 0.137 Å); Mn-activated DNPEP (Mn K-edge), Fourier transform range of k = 1.5–11.25 Å⁻¹ (resolution = 0.161 Å).

^b F = (Σk⁶(χ_exptl − χ_calc)²/Σk⁶χ_exptl²)^1/2.

^c BVS = bond valence sum for the first-shell atoms of the fit. The BVS is defined as Σ(exp((r₀ − r)/0.37)), where r₀ is an empirically derived parameter for a given pair of atoms, and r is the actual bond length. The values of r₀ were taken from Refs. 57, 58. Whereas EXAFS cannot distinguish between atoms differing by Z ± 1, we assumed an oxygen-rich environment based upon the crystal structure data.