Figure 1
The behaviour of the R and free R factors versus resolution (a) before and (b) after maximum-likelihood refinement with REFMAC. Bold lines show the R factor and the thin lines the free R factor. This structure had been refined to an R factor of 24% and a free R of 34% using unweighted least squares. REFMAC reduced the R factor by 4% and the free R by 6%. The plot shows that the greatest improvement was for the high-resolution range. The reason for this is that the fit for the high-resolution structure factors depend on accurate parameters for the atoms, but any improvement at low resolution will require large scale movements, or a more complete description of the model, e.g. more solvent atoms. |