Table 1 Data collection and refinement statistics

Space group

P 4₁ 2₁ 2

P 4₁ 2₁ 2

P 2₁ 2₁ 2₁

 a, b, c (Å)

83.9, 83.9, 117.1

84.3, 84.3, 117.4

66.6, 95.7, 100.3

Resolution (Å)

48.0–2.3 (2.38–2.30)^a

42.1–2.3 (2.40–2.32)^a

48–1.8 (1.91–1.85)^a

R_sym

0.049 (0.257)

0.034 (0.288)

0.035 (0.230)

I/σI

11.0 (2.16)

18.5 (2.0)

23.2 (2.5)

Completeness (%)

99.95 (99.84)

100.0 (100.0)

99.82 (99.08)

Redundancy

9.2 (8.5)

24.7 (17.4)

12.6 (12.5)

Resolution (Å)

2.30

2.32

1.85

No. reflections

19200

18536

55300

R_work/R_free (%)

20.8/24.4

18.9/22.9

17.1/19.9

No. atoms

2581

2611

5356

  Protein

2515

2535

4948

  Ligand/ion

18

26

18

  Water

48

54

390

B-factors

35.8

43.4

25.7

 Protein

35.8

43.3

25.2

 Ligand/ion

43.1

55.6

37.1

 Water

33.8

41.9

31.2

 Bond lengths (Å)

0.003

0.003

0.008

 Bond angles (°)

0.65

0.54

1.00

 Favored region (%)

96.52

96.85

97.08

 Additionally allowed (%)

3.48

3.15

2.92

 Disallowed region (%)

0.00

0.00

0.00

 PDB ID

8VCA

8VCD

8VCE