Table 1 Data collection and refinement statistics.

DTX2 form 1DTX2 form 2DTX2-ADPr
PDB code6Y226Y2X6Y3J
Data collection
  Space groupP3221C2221P3221
  Cell dimensions
    a, b, c (Å)106.42, 106.42, 74.6741.76, 219.58, 120.85104.93, 104.93, 74.54
    α, β, γ (°)90.0, 90.0, 120.090.0, 90.0, 90.090.0, 90.0, 120.0
  Resolution (Å)92.16–2.0760.43–1.7790.95–2.60
(2.12–2.07)*(1.82–1.77)(2.72–2.60)
  Rmerge7.6 (74.8)5.2 (77.0)27.4 (161)
  Rpim3.7 (36.0)3.2 (47.4)9.9 (59.7)
  II16.5 (3.3)14.4 (1.8)5.3 (1.0)
  CC(1/2)0.999 (0.973)0.999 (0.581)0.994 (0.822)
  Completeness (%)99.7 (97.3)100.0 (100.0)100.0 (100.0)
  Redundancy10.0 (10.0)6.6 (6.8)9.3 (8.9)
Refinement
  Resolution (Å)29.01–2.07 (2.12–2.07)60.43–1.77 (1.82–1.77)45.48–2.6 (2.72–2.60)
  No. of reflections29,92954,01828,029
  Rwork/Rfree (%)18.02/20.9224.2/27.423.76/28.22
  No. of atoms
    Protein1,7422,9981,745
    Ions242
    Ligand36
    Water9225820
  B-factors (Å2)
    Protein56.356.4458.35
    Ions48.1773.5061.96
    Ligand56.71
    Water55.1551.7849.41
  RMSD
    Bond lengths (Å)0.0060.0060.011
    Bond angles (°)0.8290.8411.331

*Values in parentheses are for highest-resolution shell.