Fig. 3: Schematic of the structural dynamics during the first half of the catalytic cycle of P450BM3 F87A/F393H in the presence of a decoy molecule and styrene (non-native substrate).

The electron densities (polder omit map) of styrene, O2, and water molecules (Wat1 and Wat2) near haem are also shown below the schematics. The maps are contoured at 3.0σ for the oxidised and reduced forms and at 4.0σ for the oxygen-bound form. The resolutions of the XFEL data for the oxidised, reduced, and oxygen-bound forms are 1.85, 1.60 and 1.50 Å, respectively.