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Figure 5
R factor (solid lines) and Rfree (dashed lines) after 30 REFMAC5 refinement iterations starting from the model 2jha plotted against (a) the external restraints weight wext, (b) the Geman–McClure weight κ on a logarithmic scale and (c) the maximum external restraint length rmax. Lines correspond to the original model (blue), the model refined without external restraints (red) and the model refined with external restraints from the reference structure 2jhp (black), generating restraints for both main-chain and side-chain atoms. In each graph, the two parameters not being considered were fixed to the values that globally minimized Rfree, i.e. wext = 7.6, κ = 1.0, rmax = 4.2.

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ISSN: 2059-7983
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