Table 1 Data collection and refinement statistics.

Wavelength (Å)

1.0000

0.9763

1.0000

Space group

P2₁

P2₁

P2₁

  a, b, c (Å)

105.8, 142.8, 105.4

102.9, 139.2, 102.7

103.7, 139.1, 103.6

  α, β, γ (°)

90, 120.2, 90

90, 119.2, 90

90, 119.5, 90

 Resolution (Å)

40–2.25 (2.39–2.25)

50–1.97 (2.09–1.97)

50–2.59 (2.75–2.59)

 Reflections collected/unique

622093/120737

1080052/175983

219001/76791

 Completeness (%)

94.7 (73.8)

99.4 (97.4)

96.4 (90.9)

 Multiplicity

5.2 (3.5)

6.1 (5.7)

2.9 (2.7)

 R _meas ^a(%)

8.6 (71.5)

8.5 (99.6)

10.7 (64.8)

 < I/σ(I)>

15.7 (2.1)

13.7 (1.9)

10.3 (2.0)

R _free reflections

1208

1232

1152

  protein

19734

19694

19668

  ligands

78

66

425

  solvent

656

625

149

R _work/R _free (%)

18.1/23.4

17.9/22.9

22.1/26.4

Average B-factor (Ų)

42.0

47.0

57.0

  bond lengths (Å)

0.014

0.015

0.013

  bond angles (°)

1.65

1.69

1.74

  favored

96.8

96.9

97.3

  allowed

3.2

3.1

2.7

  outliers

0.0

0.0

0.0

PDB code

5vlb

5vlc

5vld