Figure 2
NCS rotamer consistency correction for IleA120 in PDB entry 1m0o at 1.7 Å resolution. (a) Starting orientation of IleA120 in 1m0o in the tt rotamer. Bad steric clashes (>0.4 Å) are depicted in hot pink. (b) χ angles adjusted to match the pt rotamer orientation of the NCS-related IleB120 side chain. (c) Result of the local conformation search, including backrub motion, shown in green. (d) Following a default run of phenix.refine, the correct pt rotamer is fitted to the density map. All maps are 2mFo − DFc maps contoured at 1.2σ. Images were generated using KiNG (Chen et al., 2009). |