Table 1 Data collection and refinement statistics

Resolution range (Å)

24.09–2.49 (2.579–2.49)

36.71–1.8 (1.864–1.8)

33.35–2.4 (2.486–2.4)

39.46–2.2 (2.279–2.2)

29.28–1.8 (1.865–1.8)

30.77–1.57 (1.626–1.57)

Space group

P 1 21 1

P 1

P 1 21 1

P 32

P 63

P 3 2 1

Unit cell

Length (Å)

30.984 80.753 54.032

27.0899 30.9899 39.43

42.5295 73.1098 79.8397

65.5095 65.5095 164.752

58.555 58.555 35.395

73.9695 73.9695 110.841

Angle (°)

90 90.47 90

70.44 75.97 71.94

90 103.68 90

90 90 120

90 90 120

90 90 120

Multiplicity

3.9 (4.0)

4.0 (4.0)

7.6 (7.7)

6.1 (6.0)

9.3(7.2)

21.7 (20.6)

Completeness (%)

94.97 (93.12)

93.40 (89.76)

96.32 (94.14)

99.76 (99.58)

99.88 (99.84)

99.83 (99.79)

Mean I/sigma (I)

20.12 (7.47)

16.92 (8.91)

10.58 (4.53)

11.67 (3.38)

53.4 (17.65)

21.76 (3.96)

Wilson B-factor

55.19

13.48

18

41.94

21.26

20.76

R-merge

0.04624 (0.1469)

0.05006 (0.1079)

0.1477 (0.4164)

0.08822 (0.5762)

0.049(0.129)

0.08866 (0.8743)

R-meas

0.05376 (0.1683)

0.05787 (0.1247)

0.1584 (0.4462)

0.09657 (0.631)

0.052(0.137)

0.09088 (0.8962)

CC1/2

0.997 (0.978)

0.998 (0.985)

0.992 (0.943)

0.996 (0.904)

0.999 (0.951)

R-work

0.2179(0.3432)

0.1658 (0.2067)

0.2393 (0.2844)

0.2115 (0.2708)

0.1897 (0.3007)

0.1736 (0.2363)

R-free

0.2670 (0.3537)

0.1912 (0.2233)

0.2750 (0.3626)

0.2431 (0.3349)

0.2202 (0.3696)

0.1844 (0.2515)

macromolecules

1845

1018

2671

6094

532

2040

ligands

15

0

96

25

28

39

RMS (bonds)

0.008

0.007

0.006

0.007

0.009

0.012

RMS (angles)

1.18

1.01

1.09

0.98

1

1.25

Average B-factor

72.89

20.55

23.99

63.69

28.06

26.68

macromolecules

73.10

19.43

23.52

63.95

26.95

24.44

ligands

68.76

63.94

72.89

47.62

51.78