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![[Figure 10]](rr5054fig10mag.jpg)
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Figure 10
Handling of LeuB88 in the refinement of PDB entry 1jbb (2.0 A resolution). (a) Following ten macro-cycles of phenix.refine, LeuB88 refines to an incorrect tp rotamer (no NCS restraints, shown in green) or an outlier (torsion NCS restraints, shown in pink). Simple rotation to a correct mt rotamer (purple) does not improve the density fit sufficiently for acceptance by the rotamer correction routine. (b) Correct placement of the mt rotamer (blue) following `autofit best rotamer' using Coot (Emsley et al., 2010  ). (c) Following five additional macro-cycles of phenix.refine using torsion NCS restraints, the correct mt rotamer remains and the positive mFo − DFc density peak is eliminated. 2mFo − DFc maps (gray mesh) are contoured at 1.2σ. mFo − DFc maps (green peak) are contoured at 3.5σ. Images were generated using KiNG (Chen et al., 2009). |
![[Figure 10]](rr5054fig10.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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