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