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. 2023 Jul 20;145(30):16526–16537. doi: 10.1021/jacs.3c03419

Figure 4.

Figure 4

(a) High-resolution crystal structure of FeAibH1H2 crystallized in the presence of Tris. 2Fo – Fc electron density is contoured at 2.5σ and shown in gray mesh. (b) Continuous-wave X-band EPR spectra of MnAibH1H2 in 1 M Tris with one additional equivalent of natural abundance Fe (top, blue) or 57Fe (bottom, purple) collected at 15 K and 20 mW power. (c) EPR spectra of MnAibH1H2 in CHES without (top, black) and with (bottom, red) 100 mM AIB taken at 12 K and 63.25 mW power. Simulations are shown in gray dashed lines. (d) The extracted components used to simulate the CHES/AIB sample. Component 1 has identical parameters to the 20 mM CHES samples without AIB, and Component 2 represents a new species. Refer to Table S2 for simulated spin Hamiltonian parameters. Tris = tris(hydroxymethyl)aminomethane, CHES = N-cyclohexyl-2-aminoethanesulfonic acid.