Table 1 X-ray crystallography data collection and refinement statistics.

Data collection

Space group

C2

P2₁2₁2₁

P2₁2₁2₁

P2₁

C222₁

P2₁

Cell dimensions

a, b, c (Å)

73.51, 112.76, 67.89

77.71, 82.92, 164.62

77.11, 82.39, 164.03

61.67, 139.24, 63.95

68.04 167.59 103.49

47.49, 158.66, 155.94

α, β, γ (°)

90.00, 119.58, 90.00

90.00, 90.00, 90.00

90.00, 90.00, 90.00

90.00, 114.90, 90.00

90.00, 90.00, 90.00

90.00, 91.01, 90.00

Wavelength (Å)

1.00000

1.00000

0.97946

0.97946

0.97949

0.97949

Resolution (Å)

55.61–2.08 (2.12–2.08)^a

82.31–1.74 (anisotropic)

82.31–2.05 (isotropic)

(1.94–1.74)

58.12–2.61 (anisotropic)

58.12–3.05 (isotropic)

(2.84–2.61)

55.94–2.74 (anisotropic)

55.94–3.02 (isotropic) (2.97–2.74)

44.03–2.57 (2.58–2.57)^a

47.48–2.3 (2.31–2.30)

R_merge

0.062 (0.762)

0.065 (1.067)

0.148 (1.227)

0.173 (0.798)

0.064 (1.155)

0.066 (0.665)

I / σ(I)

12.2 (1.12)

16.6 (1.7)

10.4 (1.5)

5.6 (1.2)

23.2 (2.0)

12.5 (2.0)

CC(1/2)

0.99 (0.59)

0.99 (0.70)

0.99 (0.73)

0.975 (0.355)

0.99 (0.74)

0.99 (0.71)

Completeness

97.8 (90.3)

95.2 (ellipsoidal)

70.5 (spherical)

91.5 (ellipsoidal)

77.5 (spherical)

85.4 (ellipsoidal)

67.4 (spherical)

99.8 (98.0)

99.5 (97.9)

Redundancy

2.9 (2.7)

6.6 (6.4)

6.7 (7.0)

3.0 (2.8)

9.8 (10.0)

3.8 (3.7)

Refinement

Resolution (Å)

55.61–2.08

82.31–1.74 (anisotropic)

58.12–2.61 (anisotropic)

55.94–2.74 (anisotropic)

44.03–2.57

47.48–2.3

No. reflections

26523

76917

25309

17403

36280

195063

R_work/R_free

0.191/0.217

0.195/0.233

0.247/0.290

0.262/0.317

0.203/0.246

0.206/0.248

No. atoms

Protein

3224

11698

10835

11682

3204

13005

Ligand/ion

31

76

76

100

120

Water

128

389

42

17

353

B-factors

Protein

61.89

48.47

70.18

85.32

70.81

53.32

Ligand/ion

48.66

32.00

29.00

81.00

68.00

Water

54.24

45.39

45.18

60.58

53.43

R.m.s. deviations

Bond lengths (Å)

0.005

0.008

0.003

0.003

0.009

0.003

Bond angles (°)

0.731

1.101

0.646

0.777

1.148

0.677