TABLE 1.
Data collection and refinement statisticsa
| Statistic (unit) | Spike2 | scFv PL-2/Spike2 complex |
|---|---|---|
| Data collection | ||
| Space group | P 1 | P 41 |
| Cell dimensions | ||
| a, b, c (Å) | 44.07, 67.72, 90.53 | 200.00, 200.00, 157.52 |
| α, β, γ (°) | 76.53, 80.52, 86.29 | 90.00, 90.00, 90.00 |
| Resolution (Å) | 47.58–1.87 (1.97–1.87) | 50.00–3.20 (3.31–3.20) |
| Rsym or Rmerge | 0.073 (0.445) | 0.152 (0.555) |
| I/σI | 7.3 (2.1) | 13.3 (1.8) |
| Completeness (%) | 96.3 (93.6) | 89.2 (79.0) |
| Redundancy | 2.0 (2.0) | 3.3 (2.5) |
| Refinement | ||
| Resolution (Å) | 87.0–1.87 | 49.31–3.24 |
| No. of reflections | 80,278 | 86,380 |
| Rwork/Rfree | 0.193/0.215 | 0.241/0.288 |
| No. of atoms | 7,459 | 25,962 |
| Protein | 7,124 | 25,887 |
| Ligands | 0 | 56 |
| Water | 335 | 0 |
| B factors | ||
| Protein | 27.69 | 105.64 |
| Ligands | 0 | 159.64 |
| Water | 25.12 | 0 |
| RMS deviations | ||
| Bond lengths (Å) | 0.004 | 0.004 |
| Bond angles (°) | 0.706 | 0.786 |
| No. of TLS groups | 16 | 64 |
| Ramachandran statistics | ||
| Favored (%) | 96.9 | 95.14 |
| Allowed (%) | 3.1 | 4.86 |
| Outliers (%) | 0.0 | 0.0 |
a
Data from one crystal were used for each structure. Values in parentheses are for the highest-resolution shell. TLS, translation-libration-screw.