Table 1.

Data collection and refinement statistics

PropertyValue
Data collection
 Space groupP321
 Cell dimensions
  a, b, c, Å96.099, 96.099, 124.380
  α, β, γ, °90, 90, 120
 Resolution, Å69–2.3 (2.42–2.3)*
Rmerge, %5.4 (33.4)
I/σI12 (3.7)
 Completeness, %98 (96.7)
 Redundancy3.9 (3.8)
Refinement
 Resolution, Å69–2.3
 No. of reflections29,408
Rwork/Rfree, %17.5/21.5
 No. of atoms
  Protein3,499
  Ligand/ion343
  Water33
 B-factors, Å2
  Protein37.0
  Ligand/ion53.6
  Water41.5
 rmsd
  Bond lengths, Å0.008
  Bond angles, °1.4
 Ramachandran statistics
  Favored98.2%
  Allowed1.8%
  Outliers0%
  • * Highest resolution shell is shown in parentheses.