Data collection and refinement statistics.

aStatistic for highest resolution shell is shown in parentheses.
bRmerge  =  ∑ |Ii − < I >|/∑ Ii , where Ii is the ith measurement of the intensity of an individual reflection or its symmetry-equivalent reflections and is the average intensity of that reflection and its symmetry-equivalent reflections.
cRwork  =  ∑ ||Fo| − |Fc||/∑ |Fo| for all reflections and Rfree  =  ∑ ||Fo| − |Fc||/∑ |Fo|, calculated based on the 5% of data excluded from refinement.