Crystallographic statistics and refinement details.

#SAD – Single-wavelength anomalous diffraction. 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 = as for Rwork, but for 10.0% of the total reflections chosen at random and omitted from refinement. Individual B-factor refinement was carried out. *Values in parentheses are for highest resolution bin.