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. 2017 Mar 22;73(Pt 4):228–234. doi: 10.1107/S2053230X17004022

Table 1. Data-collection and refinement statistics for DmENO.

Values in parentheses are for the highest resolution shell.

Data collection
 Wavelength (Å) 0.97915
 Space group R32
 Unit-cell parameters (Å, °) a = b = 118.82, c = 229.79, α = β = 90, γ = 90
 Resolution (Å) 93.9–2.02 (2.07–2.02)
 Total No. of reflections 367938 (23567)
 No. of unique reflections 41492 (3019)
R merge 0.189 (0.841)
 〈I/σ(I)〉 7.3 (2.2)
 Completeness (%) 100.0 (100.0)
 Multiplicity 8.9 (7.8)
 Wilson B factor (Å2) 29.0
Refinement
 Resolution (Å) 38.33–2.02 (2.09–2.02)
R work 0.162
R free 0.201
 No. of atoms
  Total 3673
  Protein 3308
  Ligand/ion 32
  Water 333
 R.m.s.d.s
  Bond lengths (Å) 0.017
  Bond angles (°) 0.830
 Ramachandran plot
  Favoured (%) 97.25
  Allowed (%) 2.29
  Outliers (%) 0.46
 Average B factors (Å2)
  Overall 40.99
  Protein 40.16
  Ligand/ion 55.40
  Water 47.82