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. 2022 Mar 5;298(4):101799. doi: 10.1016/j.jbc.2022.101799

Figure 5.

Figure 5

Ligand-binding state of the BNC in the O∗ versus R∗. A and B, show the FO–FC maps (left panels) and 2FO–FC maps (right panels), contoured at 7.00 and 1.50 σ, respectively, of the O∗ and R∗ states without the ligand modeled. The green density shown in the FO–FC maps highlight the unmodeled ligands in the BNC. C and D, show the polder maps of the ligands in the BNC of the O∗ and R∗ states, respectively (contoured at 4.5 σ), and the corresponding 2FO–FC electron density maps with the ligands modeled with a hydroxide ion and a water molecule in the BNC (contoured at 1.00 σ). The ligand occupancies are estimated to be 86 and 80%, respectively, for O∗ and 63 and 35%, respectively, for R∗. No positive or negative features are identifiable in the associated FO–FC density maps contoured at 3.0 σ (not shown), supporting the reliability of the modeling. BNC, binuclear center.