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. 2014 Sep 27;70(Pt 10):2692–2701. doi: 10.1107/S1399004714017313

Table 1. Data-collection and final refinement statistics.

Data collection
 Space group C2 H32
 Resolution (Å) 45.1–1.8 (1.85–1.80) 45.1–1.8 (1.90–1.80)
 Unit-cell parameters
   a (Å) 108.6 62.74
   b (Å) 62.7 62.74
   c (Å) 116.3 331.45
  α (°) 90.0 90.0
  β (°) 108.1 90.0
  γ (°) 90.0 120.0
 No. of unique reflections 62577 (10063) 21944 (3462)
 Multiplicity 3.2 (3.2) 8.8 (9.0)
 Data completeness (%) 90.7 (100) 91.3 (100)
R merge (%) 4.6 (45.1) 5.4 (50.0)
 〈I/σ(I)〉 17.3 (3.2) 28.5 (5.1)
 Mosaicity (°) 0.50 0.48
Refinement  
 Resolution limit (Å) 15.0–1.8 15.0–1.8
 Protein residues 234 × 3 1–234
 No. of lipids 13 5
 No. of waters 155 51
R cryst (%) 20.4 21.1
R free (%) 22.7 24.1
 R.m.s.d.
  Bond lengths (Å) 0.019 0.018
  Bond angles (°) 1.95 2.03
B factor (Å2)
  Protein 23.5 23.5
  Water 36.7 36.9
  Lipids 58.6 60.2

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of an individual reflection and 〈I(hkl)〉 is the mean intensity obtained from multiple observations of symmetry-related reflections.

R cryst = Inline graphic Inline graphic. A randomly omitted 5% of the reflections were used for the calculation of R free.