Table 3 X-ray analysis statistics for MsGS.

Data collection

 Wavelength (Å)

1.00004

1.00002

0.97949

 Space group

P2₁

P4₃32

P2₁

 Resolution (Å)

109.99 - 2.64

(2.93 - 2.64)

130.75 - 3.09

(3.17 - 3.09)

78.85 - 2.70

(2.88 - 2.70)

 Cell dimensions

  a, b, c (Å)

130.92, 195.65, 133.44

226.46, 226.46, 226.46

131.55, 197.40, 135.17

  α, β, γ (°)

90, 94.71, 90

90, 90, 90

90, 94.89, 90

 R_merge(%)^a

7.6 (87.0)

34.5 (309.9)

6.2 (68.8)

 R_pim (%)^a

3.5 (46.7)

6.8 (60.7)

3.3 (37.0)

 CC_1/2 ^a

0.999 (0.600)

0.998 (0.486)

0.999 (0.701)

 I/σ_I^a

15.5 (1.6)

12.2 (1.4)

17.4 (2.0)

 Spherical completeness^a

62.8 (11.5)

96.6 (63.9)

68.5 (19.8)

 Ellipsoidal completeness^a

90.3 (78.7)

96.6 (63.8)

88.1 (89.8)

 Redundancy^a

5.7 (4.4)

26.6 (26.8)

4.3 (4.4)

 Nr. unique reflections^a

123,574 (6,180)

35,711 (1,793)

128,572 (6,429)

Refinement

 Resolution (Å)

62.96 – 2.64

65.37 – 3.09

49.10 – 2.70

 Number of reflections

123,529

35,696

128,533

 R_work/R_free^b (%)

19.14/22.52

18.63/21.62

19.61/21.72

 Number of atoms

  Protein

40,821

6,920

40,815

  Ligands/ions

76

64

431

  Solvent

66

0

33

 Mean B-value (Ų)

72.24

80.11

70.78

 Molprobity clash score

2.19

2.30

2.60

 Ramachandran plot

  Favored regions (%)

98.14

96.31

97.95

  Outlier regions (%)

0

0

0.02

 rmsd^c bond lengths (Å)

0.011

0.004

0.011

 rmsd^c bond angles (°)

1.35

0.678

1.348

PDB ID code

8OOW

8OOX

8OOZ