Figure 1
The neutron structure of DHFR in complex with folate and NADP+. (a) The neutron structure (Wan, Kovalevsky et al., 2014; Wan, Bennett et al., 2014). N atoms are shown in blue, C atoms in yellow, S atoms in gold and O atoms in red. Nuclear density 2Fo − Fc maps are represented at a σ level of 0.8. (b) The X-ray structure collected at 100 K (Wan, Kovalevsky et al., 2014). C atoms are shown in cyan and water molecules are represented by red spheres. Electron density 2Fo − Fc maps are represented at a σ level of 1.2. (c) Structure alignment of the neutron structure (Wan, Bennett et al., 2014), the 100 K X-ray structure (Wan, Kovalevsky et al., 2014), the 277 K X-ray structure (Wan, Bennett et al., 2014; C atoms represented in orange) and the neutron structure of DHFR in complex with methotrexate (Bennett et al., 2006; C atoms represented in green). For clarity, density is shown only for certain active-site residues and ligands. |