Figure 4
Merging statistics versus phasing outcome in thermolysin. Substructures from SHELXD were subjected to phasing and model building by SHELXE, and the CCs of automatically built main-chain atoms with the native data were evaluated as a function of the merging statistic. Furthermore, the best phase set from each SHELXE run was compared with a refined model to obtain phase errors. Data sets with weighted mean-phase error (wMPE) ≥ 40° are shown as cyan dots and those with wMPE < 40° are shown as orange dots. (a) CC1/2 overall, (b) 〈I/σ(I)〉overall, (c) CCanom overall. |