Figure 4
Confirmation of cadmium-ion substitution. Electron-density maps of the region surrounding the phosphate groups of ATP in the PfActI-G1 complex structure. (a) Placement of cadmium ion (cyan) leads to agreeable electron density and reasonable B-factor values. 2Fo − Fc (marine) and anomalous difference (purple) maps are shown around the cadmium ion and ATP phosphates. The 2Fo − Fc map is contoured at 3.5σ and the anomalous difference map is contoured at 18σ. (b) The resulting Fo − Fc map is shown as green and red meshes and contoured at 3σ. (c) A calcium ion (magenta) placed and refined with full occupancy led to a very low B factor and remaining positive density. Even at a higher σ level, a clear positive density is observed at the metal position. The Fo − Fc map is shown in green and red meshes and contoured at 5σ. |