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![[Figure 3]](xh5061fig3mag.jpg)
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Figure 3
Time dependence of heme active-site changes in DtpB time-resolved DoC mixing experiments. Chains A, B and E of the DtpB hexamer were selected as representatives of three groups defined by their oxygen occupancy 1.3 s after H2O2 mixing: high-occupancy chains (A and D), low-occupancy chains (B and C) and intermediate-occupancy chains (E and F). Shown are 2Fo − Fc (blue, 1.5σ) and Fo − Fc electron-density maps (green, 3σ) at each time point after H2O2 mixing for the selected chains. In chain A, Compound I is nearly fully formed (O atom occupancy 0.8) before the first time point, followed by an increase to an occupancy of 1.0 by the final time point. In contrast, chain B exhibits the slowest rate of Compound I formation, with a small difference density peak observed at the first time point followed by a marked increase at the second time point (0.7). Chain E displays an intermediate formation rate between that of chains A and B, with an O atom modelled with a 0.65 occupancy at the first time point and 1.0 at the final time point. |
![[Figure 3]](xh5061fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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