Table 1.
Data Collection and Refinement Statistics
| Variable | ||||
|---|---|---|---|---|
| NA | NA/Ose | NA/Zan | NA/SA | |
| General | ||||
| Space group | I432 | I432 | I432 | I432 |
| Cell dimension, Å | 181.87 | 182.44 | 181.28 | 181.75 |
| Cell angle, deg | 90 | 90 | 90 | 90 |
| Resolution, Å | 50–1.9 (1.97–1.9) | 50–2.4 (2.49–2.4) | 50–2.4 (2.49–2.4) | 50–1.8 (1.86–1.8) |
| Rsym or Rmerge, % | 0.081 (0.661) | 0.101 (0.641) | 0.095 (0.472) | 0.137 (0.309) |
| I/σ | 27.3 (2.4) | 23.2 (2.3) | 26.2 (3.3) | 69.2 (16.6) |
| Completeness, % | 99.3 (98.3) | 97.6 (93.9) | 94.7 (98.1) | 100 (99.9) |
| Redundancy | 6.5 (5.8) | 7.5 (6.7) | 5.3 (5.4) | 13.6 (10.3) |
| Refinement | ||||
| Resolution, Å | 35.7–1.9 (1.97–1.9) | 40.8–2.4 (2.49–2.4) | 38.7–2.4 (2.49–2.4) | 40.6–1.8 (1.86–1.8) |
| Reflections, total no. | 40 109 | 20 042 | 18 975 | 47423 |
| Reflections, no. (test) | 3921 | 1885 | 1943 | 4663 |
| Rwork/ Rfree, % | 16.7/18.3 | 16.7/19.5 | 20.6/25.6 | 13.7/16.1 |
| Atoms, no. | 3607 | 3389 | 3416 | 3752 |
| Root mean square deviation | ||||
| Bond length, Å | 0.004 | 0.005 | 0.005 | 0.006 |
| Bond angle, deg | 0.86 | 0.92 | 0.94 | 1.07 |
| MolProbity score | ||||
| Favored, % | 95 | 96 | 95 | 96 |
| Outliers, % (proportion) | 0.77 (3/399) | 0 | 0.26 (1/400) | 0 |
| PDB accession code | 5L14 | 5L15 | 5L17 | 5L18 |
Abbreviations: Ose, oseltamivir; PDB, Protein Data Bank; SA, sialic acid; Zan, zanamivir.