Data Collection and Refinement Statistics.

Values in parentheses are for highest-resolution shell.
aRsym = Σ|Ii−|/Σ|Ii| where Ii is the intensity of the ith measurement, and is the mean intensity for that reflection.
bRwork = Σ| Fobs−Fcalc|/Σ|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.
cRfree is calculated using the same equation as that for Rwork but 5% of reflections where chosen randomly and omitted from the refinement.