Fig. 3.

Three different reaction intermediates found in the asymmetric unit of an HG-containing HGDO_Pp crystal after incubation with air. (A) Semiquinone state of HG and side-on binding of dioxygen in subunit C. (B) Alkylperoxo intermediate in subunit F. (C) Ring-open product in subunit A. The weighted 2F_obs − F_calc maps (blue mesh) are contoured at 1.2 σ (A–C). The F_obs − F_calc omit maps (green mesh) generated after removing modeled atoms from the active site structure are contoured at 3.2 σ (A–C). (Right) Interactions of the observed species with second coordination sphere atoms are shown, and distances are given in angstroms. Color code is as in Fig. 2.