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Data collection and refinement statistics
aThe numbers for the last resolution shell are given in parentheses.
bRsym is the unweighted R-value on I between symmetry mates.
cRcryst = ∑hkl||Fobs(hkl)| − k|Fcalc(hkl)||/∑hkl|Fobs(hkl)| for the working set of reflections; Rfree is the R-value for 5% of the reflections excluded from refinement.
