Figure 22
An example of a misfitted ligand in PDB entry 1se6
. (a) The incorrect fit shown in the map from (1). The FEM is shown calculated with (b) and without (c) the incorrectly fitted ligand included in the calculations. The composite residual OMIT map is shown with (d) and without (e) the incorrectly fitted ligand included in the calculations. (f) RESOLVE density-modified map. (g) Ligand-omit map from (1) after correcting the ligand fit followed by a round of refinement. All maps are shown at 1σ or equivalent. |