Figure 3
The phenomenon illustrated in Fig. 2 explains why the Ramachandran plot of an automatically built model is usually poor. However, the errors tend to be small and randomly distributed, and therefore the model can usually be vastly improved by a single cycle of reciprocal space crystallographic refinement. Ramachandran plot of (a) the initial model of cellobiohydrolase I (Divne et al., 1994), and (b) the model obtained after a single cycle of simulated-annealing refinement. In both plots, the pink areas represent the core regions as defined in (Kleywegt & Jones, 1996b). |