Table 4 Data collection and structural refinement statistics

Data collection

 Wavelength (Å)

0.97934

 Unit cell (a, b, c; α, β, g) (Å; °)

41.2, 99.6, 48.3; 90.0, 113.9, 90.0

 Space group

P2 ₁

 Solvent content (%)

66.29

 Protein chains in AU

1

 Resolution range (Å)

50.00–1.66

 Highest resolution shell (Å)

1.69–1.66

 Unique reflections

40,502

 Redundancy

3.2 (2.6)

 Completeness (%)

97.7 (94.4)

 R_merge (%)

7.8 (29.6)

 Average I/σ(I)

32.1 (5.1)

 CC (1/2)

98.5 (80.3)

Refinement

 Resolution range (Å)

29.72–1.67

 R_work (%)

14.2

 R_free (%)

17.1

 Mean B value (Ų)^a

21.2

 RMS deviation bond lengths (Å)

0.016

 RMS deviation bond angles (°)

2.0662

 Number of amino acid residues

351

 Number of water molecules

249

Ramachandran plot

 Most favored regions (%)

97.9

 Additional allowed regions (%)

1.8

 Outliers (%)

0.3