Figure 4
(a) Comparison of Rwork values on a reduced set of 920 entries as reported by PDB-REDO and from Vagabond refinement. (b) Similar histogram derived from Rfree values from PDB-REDO and Vagabond. (c) Comparison of the R-factor gap (Rfree − Rwork) between PDB-REDO and Vagabond. (d) Correlation between Vagabond-derived and original B factors across the resolution range for the benchmark set with a colour indication of the discrepancy between the original and the Vagabond Rfree. 224 structures for which PDB-REDO did not refine individual B factors have been removed from the comparison. |