Table 1 Data collection and refinement statistics

Unit cell parameters (Å)

a = b = 65.57 Å, c = 187.62 Å

Resolution (Å)

50.0-2.31 (2.35-2.31)^†

Reflections (Total/Unique)

344112/32820

^††I/σ (I)

45.7 (3.1)

*R_sym (%)

11.8 (55.1)

Completeness (%)

94.9 (62.5)

Refinement

Resolution (Å)

45.26-2.31 (2.37-2.31)

Reflections (after 2σ cutoff)

32806 (2376)

Completeness (after 2σ cutoff) (%)

95.0

^‡R (%)

22.8 (28.3)

^**R_free (%)

26.5 (33.7)

Model quality

^§RMSD bond length (Å)

0.012

RMSD bond angles (°)

1.261

Overall B-factor (Ų)

80.2

Ramachadran plot

98.9% (favorite)

1.1% (allowed)

0% (disallowed)

***Number of total atoms

5296

 Protein atoms

5104

 Ligand atoms

192

 H2O

27