Table 2 X-ray analysis statistics for MtGS.

Data collection

 Wavelength (Å)

0.97625

1.00004

1.30511

0.99999

 Space group

C222₁

C222₁

P1

P1

 Resolution (Å)

49.78 – 1.65

(1.74 – 1.65)

76.67 - 2.43

(2.57 - 2.43)

110.03 – 2.15

(2.30 – 2.15)

203.54 – 2.91

(3.12 – 2.91)

 Cell dimensions

  a, b, c (Å)

131.43, 228.45, 204.80

132.65, 230.24, 205.59

112.34, 131.77, 131.51

131.81, 131.93, 203.54

  α, β, γ (°)

90, 90, 90

90, 90, 90

60.04, 87.72, 67.34

89.95, 89.86, 60.05

 R_merge(%)^a

6.3 (91.8)

26.9 (179.5)

11.0 (95.0)

12.2 (50.1)

 R_pim (%)^a

3.9 (56.6)

7.3 (46.4)

6.8 (59.0)

7.6 (34.4)

 CC_1/2 ^a

0.999 (0.782)

0.998 (0.782)

0.995 (0.569)

0.993 (0.548)

 I/σ_I^a

11.9 (1.6)

7.4 (1.5)

9.3 (1.3)

5.9 (1.6)

 Spherical completeness^a

98.9 (97.9)

86.6 (28.7)

76.9 (21.1)

64.8 (16.8)

 Ellipsoidal completeness^a

/

93.3 (49.5)

92.2 (58.8)

91.7 (69.3)

 Redundancy^a

6.9 (6.9)

14.5 (15.6)

3.6 (3.4)

3.5 (3.0)

 Nr. unique reflections^a

361,584 (51,999)

102,291 (5,117)

248,419 (12,420)

169,224 (8,461)

Refinement

 Resolution (Å)

49.78 – 1.65

58.89 – 2.43

42.88 – 2.15

43.74 – 2.91

 Number of reflections

361,148

102,286

248,376

169,113

 R_work/R_free^b (%)

16.30/18.50

22.94/26.82

17.10/20.20^d

25.41/27.80

 Number of atoms

  Protein

21,321

21,082

42,408

84,792

  Ligands/ions

81

154

710

371

  Solvent

2,932

293

3,041

0

 Mean B-value (Ų)

33.52

52.65

38.36

63.17

 Molprobity clash score

2.32

4.01

1.99

1.09

 Ramachandran plot

  Favored regions (%)

98.20

96.51

97.92

96.26

  Outlier regions (%)

0

0.04

0.22

0.24

 rmsd^c bond lengths (Å)

0.012

0.004

0.009

0.010

 rmsd^c bond angles (°)

1.485

0.654

0.93

1.274

PDB ID code

8OOL

8OON

8OOO

8OOQ