Table 1 Data collection and refinement statistics

 Space group

P2₁2₁2₁

P2₁

P3₂

P2₁2₁2₁

P3₂21

P3₂21

P3₂21

      a, b, c (Å)

45.1, 71.1, 72.3

43.3, 97.4, 59.4

108.5, 108.5, 131.0

42.7, 56.9, 97.5

62.9, 62.9, 131.3

63.2, 63.2, 130.9

63.0, 63.0, 131.0

     α, β, γ (°)

90, 90, 90

90, 93.7, 90

90, 90, 120

90, 90, 90

90, 90, 120

90, 90, 120

90, 90, 120

 Resolution (Å)

26.20–1.55 (1.61–1.55)^a

25.95–1.97 (2.04–1.97)^a

28.02–1.98 (2.05–1.98)^a

27.98–2.73 (2.85–2.73)^a

27.23–2.81 (2.91–2.81)^a

28.44–2.50 (2.59–2.50)^a

28.40–2.60 (2.69–2.60)^a

 R _merge

0.057 (0.487)

0.086 (0.502)

0.046 (0.512)

0.117 (0.336)

0.088 (0.507)

0.147 (0.508)

0.054 (0.579)

 I/σI

33.9 (4.3)

14.3 (2.0)

23.1 (2.4)

13.6 (2.87)

30.1 (5.1)

15.4 (2.2)

29.8 (2.6)

Completeness(%)

97.8 (100.0)

98.2 (91.1)

99.1 (100.0)

98.6 (90.7)

99.9 (100.0)

98.8 (90.4)

99.9 (99.9)

 Redundancy

7.8 (8.1)

3.8 (3.3)

2.9 (2.8)

5.2 (3.2)

9.6 (8.9)

6.9 (3.8)

5.3 (5.3)

 Resolution (Å)

26.20–1.55

25.95–1.97

28.02–1.98

27.98–2.73

27.23–2.81

28.44–2.50

28.40–2.60

 No. of reflections

33,710

32,430

112,158

6555

7429

9872

8899

 R_work/R_free

0.169/0.190

0.155/0.197

0.145/0.193

0.161/0.250

0.184/0.271

0.200/0.250

0.185/0.251

     Protein

1910

3873

11,576

1916

1949

1915

1917

     Ligand/ion

5

72

231

41

36

36

36

     Water

285

266

1283

3

—

24

8

     Protein

23.45

32.72

28.29

40.51

50.23

53.87

51.59

     Ligand/ion

27.81

24.15

24.53

61.59

50.42

37.73

48.48

     Water

35.06

39.46

37.81

37.66

—

38.10

42.31

     Bond lengths (Å)

0.006

0.008

0.008

0.010

0.009

0.009

0.009

     Bond angles (°)

0.81

0.87

0.94

1.07

1.00

1.04

1.02