Table 1.

Data Collection and Refinement

Data
Space Group		P1
Unit Cell		a=69.23 b=127.0 c=127.2 α=60.48 β=90.26 γ=89.77
Wavelength (Å)		1.11
Resolution (Å)		42 – 2.8
Unique Reflections		87,859
Redundancy		3.8 (3.6)
Completeness (%)		94.6 (66.6)a
I/σ		15.5 (3.8)
Rmerge		0.079 (0.342)
Refinement
Rwork (%)		27.0b
Rfree (%)		29.5c
RMSD bonds (Å)		0.013
RMSD angles (°)		0.970
Ramachandrand	Preferred (%)	94.4
	Allowed (%)	5.6
	Outliers (%)	0
Number of Atoms		19,558
Protein		19,141
Ligands		333
Water		84

Values in parenthesis correspond to the high resolution bin of 2.9–2.8 Å

^aData is > 90% complete in all resolution bins to 2.9 Å

^bR_work =Σ||F_o|-|F_c||/ |F_o|

^cR_free is calculated using 5% of the data omitted from refinement

^dAs reported by Molprobity (Davis et al., 2007)