Table 3 Crystallographic data collection and refinement statistics

Resolution range (Å)

50.00–2.30

50.00–2.15

Space group

P6₁

P6₁

Unit cell parameters

 a = b (Å)

140.1

139.9

 c (Å)

80.5

80.0

 Number of molecules in the asymmetric unit

2

2

 Total number of measured reflections

169,548

671,375

 Number of unique reflections

37,653

46,024

 Completeness (%)

98.8 (90.0)

99.2 (95.4)

 I/σ (I)

26.8 (4.0)

33.0 (2.1)

 Rsym (%)

6.9 (23.8)

8.6 (41.3)

Refinement

 R_cryst (%)

18.2

22.7

 R_free (%)

20.6

26.8

 R.m.s.d in bond lengths (Å)

0.02

0.02

 R.m.s.d in bond angles (°)

2.2

2.1

 R.m.s.d in torsion angles (°)

17.4

18.1

Ramachandran plot analysis

 Most favoured (%)

88.2

88.3

 Additionally allowed (%)

10.1

9.5

 Generously allowed region (%)

1.3

1.3

 Disallowed region (%)

0.4

0.9

B factors (Ų)

 Wilson B factor

37.6

37.8

 Average B-factor for main chain atoms

41.6

36.7

 Average B-factor for the side chain atoms and water oxygen atoms

42.1

38.7

 Mean B-factor for all atoms

41.8

37.8

 Number of protein atoms

4142

4142

 Number of water oxygen atoms

245

288

 Number of carbohydrate (NAG) residues

0

2

 PDB ID

4ZGB

4FLF