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Figure 8
Electron-density maps of the active and pre-bound dioxygen sites of chain A (purple) and chain B (green) at low and high X-ray doses. The electron density visibly spreads out at H2Oax upon reduction of the active-site copper. For all models, the occupancies of H2Oax, H2Oeq, CO2 and the pre-bound dioxygen species are allowed to change. The 2mFo − DFc electron density is contoured at 1.0σ and represented as a gray mesh. The mFo − DFc electron density is contoured at ±3σ and represented as a green (positive) and purple (negative) mesh. The active-site copper is shown as an orange sphere, waters as red spheres and dioxygen as a red stick. |

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