Table 1 Data collection and refinement statistics

 Wavelength, Ǻ

0.9795

0.9795

 Space group

P2₁2₁2₁

P2₁2₁2₁

a, b, c, Å

52.7, 69.5, 213.5

52.7, 69.5, 213.5

α, β, γ, °

90, 90, 90

90, 90, 90

  Molecules/a.u.

4

4

  Resolution, (Å)

50–3.2 (3.26–3.2)

50–3.2 (3.26–3.25)

  Total

52,155

60,052

  Unique

12,129

12,777

R_merg^a, %

32.1 (52.1)

29.5 (100)

R_pim^b, %

15.6 (43.4)

14.8 (57.7)

  CC_1/2^c

0.931 (0.611)

0.96 (0.466)

I/σ

6.2 (1.1)

7.0 (1.25)

  Completeness, %

88.5 (66.9)

96.9 (97.7)

  Redundancy

4.3 (1.9)

4.7 (4.6)

 Resolution, Å

50.0–3.2

50.0–3.25

R^d, %

24.1

23.6

R_free^e, %

30.1

28.3

 # of atoms

  Protein

6130

6130

  Ligand

190

190

  Protein

81

80

  Ligand

74

71

  Bond lengths, Å

0.003

0.004

  Bond angles, °

0.7

0.8

 Ramachandran^f

  Favored, %

90.1

90.2

  Allowed, %

98.5

98.3

  Outliers, %

1.5

1.7

PDB ID

6W4M

–