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. Author manuscript; available in PMC: 2018 Nov 6.
Published in final edited form as: Inorg Chem. 2017 Nov 6;56(21):13205–13213. doi: 10.1021/acs.inorgchem.7b01945

Figure 7.

Figure 7

Low-dose (0.16 MGy) X-ray crystal structure of the heme environment of L16G-nitrite AXCP at 1.06 Å resolution showing a weighted electron density Fo-Fc omit map (green) superimposed on the 2Fo-Fc map (gray) contoured at 0.44 e/Å3. A mixture of nitrite and water were modeled as heme ligands in the proportion 0.25:0.75 to account for the ligand electron density with B-factors 19.6/17.8/19.7 Å2 for nitrite O/N/O atoms, 10.4 Å2 for water, and 8.9 Å2 for the Fe atom. The Fe–N(nitrite) distance is 2.1 Å, Fe–N–O angles 118°/120°, and Fe-water distance 2.07 Å.