Figure 5
PDB entry 1gaf. (a) The area around loop H128–H135 has minority conformations and outliers in Ramachandran plot class and Cα torsion angles. (b) The PDB-REDO model at present. The current PDB-REDO procedure cannot correct the wrongly built loop since it is outside the radius of convergence of (re-)refinement. (c) After removing the loop and running PDB-REDO with homology-based loop building (van Beusekom, Joosten et al., 2018), the correct conformation is built with an excellent fit to the electron density. The 2mFo − DFc and mFo − DFc maps are shown at 1.5σ and 3.0σ, respectively. |