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Figure 6
Boxplots representing interatomic distance (bond-length) distributions for the 23 proximal instances of CYS[SG]–PJE[C20] which were found amongst 11 entries in the PDB. Boxplots are shown corresponding to whether the covalent linkage was unannotated (orange; 15 instances in five entries) or annotated using a link record (grey; eight instances in six entries), and also all instances after re-refinement by REFMAC5 via PDB-REDO without modelling the covalent linkage (green; 23 instances) and modelling the covalent linkage using an AceDRG link dictionary (black; 23 instances). The ideal bond length according to AceDRG (1.838 Å) is depicted as a solid red line, with dotted red lines representing two standard deviations from the target value (1.817 and 1.859 Å). This figure was created using R (R Core Team, 2020BB36).

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ISSN: 2059-7983
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