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Kinetic model and corresponding rate parameters used to simulate the stopped-flow data of the reaction of (FeII/αKG/penicillin-G)-DAOCS with O2. Since there are 41% six-coordinate sites from Mössbauer, the observed (SI Appendix, Fig. S9) six- to five-coordinate conversion rate from Scheme 2 was used to generate the five-coordinate FeII site that binds O2.
