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![[Figure 1]](rr5114fig1mag.jpg)
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Figure 1
Comparison of the validation results for ∼23 000 re-refined PDB entries based on either the CDL or the Engh and Huber SVL restraints. Bins corresponding to 0.6, 0.7, 3.4, 3.5 and 3.6 Å have less than 50 observations. (a) Bond-angle r.m.s.d. values as a function of resolution for structures refined using the CDL v.1.2 and validated against the conventional SVL (blue lines) or against the CDL (red lines). The dashed lines are the values for the entire proteins, while the solid lines are based only on the backbone bond angles that are unique to the CDL. (b) Same as (a) but for bond lengths. (c) Average number of bond angles per structure as a function of resolution that are more than 6σ away from the restraint target value based on validation using either the conventional SVL (blue lines) or the CDL (red lines). (d) Same as (c) but for bond lengths. In (c) and (d) where the blue lines are not visible they are underneath the red lines. |
![[Figure 1]](rr5114fig1.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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