Crystallographic data and refinement statistics.

aRsym = ∑|Ii–|/|Ii| where Ii is the intensity of the ith measurement, and is the mean intensity for that reflection.
bReflections with I>σ was used in the refinement.
cRwork = |Fobs–Fcalc|/|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.
dRfree = as for Rwork, but for 5% of the total reflections chosen at random and omitted from refinement.
eIndividual B-factor refinements were calculated.
*The high resolution bin details are in the parenthesis.