Figure 1
Correlations of observed and calculated structure factors as function of resolution for different experimental phase sets (equivalent to the correlation between maps). `Observed' structure factors used the measured native amplitude (Nat6 or Se3) and the phase from SHARP and SOLOMON (solvent flattening with 52% solvent). (a) Single derivatives: the two Xe derivatives give much better phases than the EMTS derivatives. (b) Adding extra derivatives improves the phases: adding either Xe14 or EMTS10 to Xe2 gives about the same improvement, adding both is better still and adding EMTS7(peak) gives a further small improvement. (c) Phases are degraded by adding non-isomorphous derivatives: phases from the SeMet (peak and edge) data sets (together with native data set Nat20) are poor, and combining these phases with the best MIR set is less good than MIR alone. Adding the EMTS7(edge) data set also seriously degrades the MIR set. |