Table 1.

Data collection and refinement statistics.

Wavelength (Å)	0.987
Resolution range (Å)	50 - 2.9 (2.95 - 2.9)
Space group	C 2
Unit cell	a=141.39Å b=155.69Å c=99.05Å α=90° β=95.34° γ=90°
Total reflections	152442
Unique reflections	43750
Multiplicity	3.5 (3.0)
Completeness (%)	96.00 (68.70)
<I>/<σ(I)>	8.59 (2.51)
Wilson B-factor	70.42
Rsyma	0.111 (0.567)
Rcrystb	0.2365 (0.3253)
Rfreeb	0.2882 (0.3929)
Number of atoms	11082
protein (1376 residues)	11064
Water	18
RMS(bonds) (Å)	0.004
RMS(angles) (°)	0.90
Ramachandran favored (%)	94
Ramachandran outliers (%)	0.75
Clash scorec	21.50
Average B-factor	96.20
Protein	96.30
Water	60.80

Statistics for the highest-resolution shell are shown in parentheses.

^a $R_{\mathit{sym}}=\frac{\mathrm{\sum }\left|I{(h)}_j-\langle I(h)\rangle \right|}{\mathrm{\sum }I{(h)}_j}$

^b $R_{\mathit{cryst},\mathit{free}}=\frac{\mathrm{\sum }\left|\mid F_{\mathit{obs}}\mid -\mid F_{\mathit{calc}}\mid \right|}{\mathrm{\sum }\mid F_{\mathit{obs}}\mid }$ R_free was calculated with a random 5% of the reflections.

^cCalculated with MolProbity (Chen et al., 2010)