Figure 5
Example of a protein structure with an excess of water molecules: the botulism neurotoxin light chain (PDB entry 7kyf) contains 19 water molecules modeled at full occupancy, but all of these water molecules are located in negative regions of the Fo − Fc map, suggesting that their placement was not based on the available diffraction data. The 2Fo − Fc map (blue) is contoured at the 1.5σ level, while the Fo − Fc map (red) is shown at −3.0σ. |