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![[Figure 2]](lp5003fig2mag.jpg)
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Figure 2
Characterization of the interstitial ligand in the Cp1 FeMo cofactor. (a) The refined crystallographic structure of the FeMo cofactor with the superimposed 2Fo − Fc electron-density map highlighted in light blue and contoured at 3σ. The interstitial ligand is modeled as carbon and labeled CX. C atoms are shown in light gray, N atoms in blue, O atoms in red, S atoms in yellow, Fe atoms in orange and Mo atoms in cyan. Homocitrate is labeled HCA. (b) The averaged electron density ρ(r) of the two crystallographically independent interstitial ligands CX (green) calculated within spheres of the indicated radii and compared with those calculated for proteinaceous C (gray), N (blue) and O (red) atoms with an isotropic B factor no greater than 30 Å2. (c) The variation in electron density (ρ0) at the atomic center as a function of the isotropic B factor for proteinaceous carbon (gray), nitrogen (blue) and oxygen (red). Atoms with isotropic B factors of <30 Å2 were included in the calculation. The data points representing two crystallographically independent interstitial ligands CX are shown in green. |
![[Figure 2]](lp5003fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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