Table 2 Crystallographic data and refinement statistics

Space group

C2

Unit Cell Dimensions: a, b, c (Å) α, β, γ (°)

162.0, 66.4, 93.6 90, 98.2, 90

Wavelength (Å)

1.0088

Resolution Range (Å)

19.34 - 2.75 (2.90 - 2.75)*

R _sym (%)

7.0 (36.2)

I/σ

19.92 (4.42)

Measured reflections

64394 (9470)

Unique reflections

22267 (3362)

Redundancy

2.89 (2.82)

Completeness (%)

86.0 (88.8)

Refinement

Resolution (Å)

19.34 - 2.75

R _cryst /R _free (%)

23.8/29.2

Atoms (protein/ligand/solvent)

5469/56/243

Rmsd bond length (Å)

0.012

Rmsd bond angles (°)

1.6

Average B-factors (Ų, main chain/side chain)

66.4