Data collection and crystallographic refinement statistics for mutant P2O structures with fluorinated galactoses.

1The outer shell statistics of the reflections are given in parentheses. Shells were selected as defined in XDS [36] by the user.2Rsym = [Σhkl Σi |I–|/Σhkl Σi |I| ]×100%.3CC(1/2) = Percentage of correlation between intensities from random half-datasets. Values given represent correlations significant at the 0.1% level [44].4Rfactor = Σhkl | |Fo|–|Fc| |/Σhkl |Fo|.5We note that the R and Rfree values are suspiciously high a 1.9-Å resolution model with electron density of good quality. Data sanity tests excluded twinning, pseudotranslation, and misindexing as possible reasons. However, the data suffer from poor completeness in the low-resolution region and contain several ice rings, which may account for the problems encountered during refinement.6As determined by MolProbity [45].