Model of AurF-P proposed by Solomon and co-workers based on a combined NRVS and DFT analysis.62 The Fe, O, N, C, and H atoms are shown in brown, red, blue, green, and white, respectively. Bond distances from DFT: Fe···Fe at 3.82 Å, Fe–Ohydroperoxo at 1.89 Å and Fe′-OHhydroperoxo at 2.17 Å, Fe-NHis ≈ 2.2 Å, and Fe–OGlu ≈ 2.0 Å.