Table 3 Data collection and refinement statistics

 Space group

C222₁

C222₁

 Cell dimensions

   a, b, c (Å)

65.5, 172.3, 121.3

100.0, 303.9, 60.2

  α, β, γ (°)

90, 90, 90

90, 90, 90

 Resolution (Å)^a

50–2.00 (2.12–2.00)

50–2.70 (2.80–2.70)

 R_meas^a

0.860 (18.057)

0.499 (5.826)

 R_pim^a

0.060 (1.277)

0.108 (1.250)

 <I/σ(I)>^a

20.7 (0.95)

9.0 (1.4)

 CC_1/2^a

0.998 (0.559)

0.981 (0.382)

 Completeness (%)^a

100.0 (100.0)

99.99 (100.0)

 Redundancy^a

204.6 (199.2)

21.5 (21.5)

 Resolution (Å)

50–2.00

50–2.70

 No. of reflections

46,785

25,764

 R_work/R_free

0.1834/0.2271

0.2066/0.2335

 No. of atoms

   Protein

3914

3871

   Ligand/ion

296

108

   Water

175

59

  Protein

44.5

64.8

  Ligand/ion

79.2

80.8

  Water

49.7

40.8

  Bond lengths (Å)

0.007

0.002

  Bond angles (°)

0.862

0.517

  Favoured (%)

98.6

97.3

  Allowed (%)

1.2

2.5

  Outlier (%)

0.2

0.2