Figure 8
The MAL ligand of PDB entry 6b9b which was detected by the program as an outlier with low occupancy. There is no convincing density corresponding to MAL. The estimated low occupancy and the absence of convincing density suggests that this ligand does not exist in the crystal as a fully occupied molecule. (a) The ligand as present in the PDB after ten cycles of refinement. (b) The ligand was removed and water molecules were placed using the difference map. |