Figure 3
Changes in global parameters after refinement of structures with Fitmunk. 115 different structures of 65 different proteins are represented. (a) Changes in R (black circles) and Rfree (red squares) after Fitmunk refinement. (b) Histograms of ΔR (gray) and ΔRfree (red) between the original and the Fitmunk-refined structure. (c) Changes in MolProbity clashscore percentiles (black circles) and MolProbity score percentiles (red squares) shown as a value of the parameter calculated for the Fitmunk-refined structure versus the value of the parameter calculated for the unrefined structure. All parameters are calculated using the original structure after five cycles of REFMAC refinement and the original structure refined with Fitmunk and five cycles of REFMAC. Black lines in (a) (horizontal line) and (c) (diagonal line) represent no change in a parameter. |