Crystallography Data Collection and Refinement Statistics.

1 Statistics for highest resolution bin of reflections in parentheses.2 Rsym = ShSj l Ihj-h> l/ShSjIhj, where Ihj is the intensity of observation j of reflection h and h> is the mean intensity for multiply recorded reflections.3 Intensity signal-to-noise ratio.4 Completeness of the unique diffraction data.5 R-factor = Sh I IFoI – IFcI I/ShIFoI, where Fo and Fc are the observed and calculated structure factor amplitudes for reflection h.6 Rfree is calculated against a 10% random sampling of the reflections that were removed before structure refinement.7 Root mean square deviation of bond lengths and bond angles.8 Number of steric overlaps>0.4 Å per 1000 atoms.Crystallography Data Collection and Refinement Statistics.