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Figure 1
Performance of the tested protocols (a), using the same nomenclature as in Table 1[link]. Where appropriate, external restraints were generated using the one homologue that had the most similar conformation (lowest global r.m.s.d.) to the target structure. (b) and (c) show box plots representing the distributions of changes in Rfree and the MolProbity score percentile, respectively, after refinement using different protocols. All data correspond to the results arising from the protocol that displayed the best performance for the particular structure (lowest Rfree after refinement). In all box plots the mean is shown as a black dot and the median as a thick horizontal line. (d) displays a scatter plot showing the relationship between the change in Rfree and the change in MolProbity score percentile, for all protocols, for the whole test set.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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