Figure 1
(a) Plot of SHELXC output, showing 〈d′′/σ〉 for the peak (in red) and inflection point (in blue) datasets of FAE. Usable anomalous signal is up to 1.79 Å resolution. The 〈d′/σ〉 isomorphous signal in the `after' dataset is shown in green. (b) Plot of SHELXC output, showing 〈d′′/σ〉 for the peak (in red) and inflection point (in blue) datasets of CHSYNT. Usable anomalous signal is up to 2.7 Å resolution. The 〈d′/σ〉 isomorphous signal in the `after' dataset is shown in green. (c) Plot of the substructure atom occupancy for FAE. After the analysis we noticed that the MAD substructure presents some of the Mse in double conformations and that the located Cd atoms have lower occupancy. Hence the drop in occupancy is not as clear as in the case of SIRAS. (d) Atom occupancy for CHSYNT. In this case SIRAS does not present a clear drop, owing to the presence of extra damaged sites (see text) |