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. Author manuscript; available in PMC: 2022 Nov 16.
Published in final edited form as: Nat Catal. 2022 May 16;5(5):443–454. doi: 10.1038/s41929-022-00782-7

Fig. 4. Crystallographic analysis of Av1*(TOS).

Fig. 4.

(a, b) Structures of P-clusters at the interface of (a) Chain-A/B (P-cluster(A/B)) and (b) Chain-C/D (P-cluster(C/D)) of Av1*(TOS), overlaid with the anomalous density maps (mint-blue mesh) calculated at 7100 eV at 2.00 Å resolution and contoured at 5.0 σ. Chain-A and Chain-C are the α-subunit, and Chain-B and Chain-D the β-subunits, of the two αβ-dimers of Av1*. The P-clusters are illustrated in ball-and-stick presentation, and their ligands are shown as sticks. Chain-A and Chain-C are illustrated as wheat ribbons, and Chain-B and Chain-D are shown as light-blue ribbons. Colour code of atoms: Fe, orange; S, yellow; O, red; N, blue. (c-f) Structures of M-clusters in (c, e) Chain-A (M-cluster(A)) and (d, f) Chain-C (M-cluster(C)), refined at 1.65 Å resolution. (c, d) Side view and (e, f) view along the Fe1-C-Mo axis of (c, e) M-cluster(A) and (d, f) M-cluster(C), overlaid with the anomalous density maps (mint-blue mesh) calculated at 7100 eV at 2.00 Å resolution and contoured at 5.0 σ. The key residues that interact with the clusters are shown as sticks.