Table 3 Data collection and refinement statistics (molecular replacement)
Non-pThr172 complex with 991/AMP bound (PDB ID: 5ISO)
Data collection
 Space groupP1212
 Cell dimensions
  a, b, c (Å)75.42, 129.30, 139.28
   α, β, γ (°)90, 92.73, 90
Resolution (Å)19.97–2.63 (2.72–2.63)1
Rsym or Rmerge0.03 (0.40)
ΙI14.69 (2.20)
 Completeness (%)99.12 (99.85)
 Redundancy3.4 (1.9)
Refinement
 Resolution (Å)19.97–2.63 (2.72–2.63)
 No. of reflections78 451 (7875)
Rwork/Rfree0.256/0.189
 No. of atoms15 048
  Protein14 835
  Ligand/ion132
  Water81
 B-factors82.50
  Protein82.70
  Ligand/ion62.80
  Water73.70
 r.m.s deviations
  Bond lengths (Å)0.009
  Bond angles (°)1.22

1 Highest resolution shell is shown in parenthesis.