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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., 2018BB3), the correct conformation is built with an excellent fit to the electron density. The 2mFoDFc and mFoDFc maps are shown at 1.5σ and 3.0σ, respectively.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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