Table 1. Data collection and structure refinement statistics.
Values in parenthesis indicate highest-resolution shell. RMSD, root mean square deviations.
| Data collection | |
| Number of crystals | 9 |
| Space group | C2221 |
| Cell dimensions | |
| a, b, c (Å) | 76.99, 78.86, 283.49 |
| α, β, γ (°) | 90.00, 90.00, 90.00 |
| Number of reflections measured | 472,505 |
| Number of unique reflections | 14,739 |
| Resolution (Å) | 47.59–3.20 (3.42–3.20) |
| Rpim | 0.119 (1.309) |
| CC1/2 | 0.998 (0.578) |
| Mean I/s(I) | 7.5 (1.1) |
| Completeness (%) | 99.9 (99.7) |
| Redundancy | 32.1 (32.9) |
| Refinement | |
| Resolution (Å) | 29.843–3.20 |
| Number of reflections (test set) Reflection test set (%) |
14,602 (632) 4.33 |
| Rwork/Rfree | 0.252/0.266 |
| Number of atoms | |
| All | 3,718 |
| Protein | 3,647 |
| Ligand | 36 |
| Others (cholesterol, PEG) | 35 |
| Average B factors (Å2) | |
| All | 100.89 |
| Protein | 100.64 |
| Ligand | 120.71 |
| Others (cholesterol, PEG) | 105.82 |
| RMSD | |
| Bond lengths (Å) | 0.003 |
| Bond angles (°) | 0.725 |
| Ramachandran statistics | |
| Favored regions (%) | 96.47 |
| Allowed regions (%) | 3.53 |
| Outliers (%) | 0.00 |
| MolProbity overall score | 10.34 |