Figure 7
The I3P ligand of PDB entry 5x1o which was detected by ToBvalid as a potentially lighter ligand than the surrounding atoms. The high B values for the atoms of I3P and the resulting estimated low occupancy suggests that either this ligand is absent in the crystal or it is present with low occupancy. (a) The ligand before rebuilding after ten cycles of refinement. (b) After removal of the ligand and the placement of water molecules according to the difference map. |