Table 1 Data collection and refinement statistics

Values in parentheses are for the highest-resolution shell.

ParametersPorBIA
Data collection
 Space groupC2
  a, b, c (Å)114.05, 111.470, 88.340
  α, β, γ (O)90, 102.07, 90
 Resolution (Å)38.00–3.31 (3.51–3.31)
Rsym or Rmerge0.19 (0.67)
I/σI6.72 (2.1)
 Completeness89.7 (87.9)
 Redundancy3.3 (3.2)
Refinement
 Resolution (Å)38.00–3.31 (3.4–3.31)
 Number of reflections15040
Rwork/Rfree0.22/0.27 (0.32/0.38)
 Number of atoms
  Protein7173
  ATP93
B-factors (all atoms)
  Protein108
  ATP168
 r.m.s.d.
  Bond lengths (Å)0.022
  Bond angles (°)1.94
Ramachandran statistics
 Residues in favoured region (%)855 (91.4)
 Residues in allowed region (%)78 (8.3)
 Residues in outlier region (%)2 (0.2)
PDB code4AUI