Figure 4
The LsAA9_A active site modeled in the joint X-ray/neutron structure at room temperature. (a) 2Fo − Fc electron-density map in light blue contoured at 1.0σ. (b) Fo − Fc neutron scattering-length density omit map for His78 in purple contoured at 3.0σ. His78 is modeled in a single conformation with 75% occupancy. (c) Fo − Fc electron-density omit map for Cl− in dark blue contoured at 3.0σ. The Cl− ion is modeled with 25% occupancy. (d) Fo − Fc neutron scattering-length density omit map for the N-terminal amino group in purple contoured at 3.0σ, indicating that the N-terminal amino group is neutral (NH2). |