Table 3. Data collection and refinement statistics (molecular replacement).
| CT149/H7 | CT149/H3 | |
|---|---|---|
| Data collection | ||
| Space group | R32 | P31 |
| Cell dimensions | ||
| a, b, c (Å) | 126.9, 126.9, 409.6 | 128.7, 128.7, 428.3 |
| α, β, γ(°) | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 |
| Resolution (Å) | 50.0–2.8 (2.90–2.80)* | 50–3.5 (3.63–3.50) |
| Rsym or Rmerge | 11.5 (88.3) | 13.6 (71.8) |
| I/σI | 17.2 (2.4) | 11.9 (1.7) |
| Completeness (%) | 99.5 (99.9) | 99.5 (100) |
| Redundancy | 7.8 (7.7) | 3.7 (3.9) |
| Refinement | ||
| Resolution (Å) | 48.4–2.8 (2.90–2.80) | 48.3–3.5 (3.50–3.59) |
| No. of reflections | 31,755 | 94,551 |
| Rwork/Rfree | 26.4/31.1 | 23.9/27.8 |
| No. of atoms | ||
| Protein | 5,650 | 42,616 |
| Ligand/ion | 0 | 636 |
| Water | 25 | 0 |
| B-factors | ||
| Protein | 75.313 | 120.4 |
| Ligand/ion | 0 | 138.4 |
| Water | 58.399 | 0 |
| R.m.s.d. | ||
| Bond lengths (Å) | 0.004 | 0.019 |
| Bond angles (°) | 0.780 | 1.58 |
R.m.s.d., root mean squared deviation. *Indicates that the values in the parentheses are for the highest-resolution shell.