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![[Figure 3]](ir5018fig3mag.jpg)
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Figure 3
HisA434 was wrongly linked to CysA416 in PDB entry 6blw, prohibiting automated Zn2+ site correction in PDB-REDO. (a) Incorrect PDB-REDO model of PDB entry 6blw. HisA434 is a rotamer outlier with respect to its homologs. The 2mFo − DFc and mFo − DFc maps are shown at 1.0σ and 3.0σ, respectively. (b) New PDB-REDO model of PDB entry 6blw in which the Zn2+ site is corrected and HisA434 is in the same rotamer as its homologs. (c) The rotamer torsion angles of HisA434 and all of its homologous histidines. The incorrect conformation of HisA434 is shown in pink (χ2 = 150°) and the corrected conformation, which clusters with its homologs, in magenta (χ2 = 80°). |
![[Figure 3]](ir5018fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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