Table 2.
Data collection and refinement statistics
| D52N-UK432097 PDB 5WF5 |
S91A-UK432097 PDB 5WF6 |
|
|---|---|---|
| Data collection | ||
| Number of crystals | 24 | 25 |
| Space group | P21 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 47.69, 77.77, 86.49 | 47.78, 78.22, 86.48 |
| β (°) | 100.05 | 101.20 |
| No. Total Reflections | 78572 | 42494 |
| No. Unique Reflections | 17786 | 13000 |
| Resolution (Å) | 46.80–2.60 (2.69–2.60)* | 44.88–2.90 (3.00–2.90)* |
| Rsym or Rmerge | 0.180 (0.880) | 0.218 (0.710) |
| I / σI | 8.1 (1.1) | 4.6 (1.3) |
| Completeness (%) | 92.3 (69.4) | 91.9 (74.5) |
| Redundancy | 4.4 (3.0) | 3.3 (2.3) |
| Highest Shell CC1/2 | 0.50 | 0.52 |
| Refinement | ||
| Resolution (Å) | 29.9–2.60 | 29.49–2.90 |
| No. reflections / test set | 17709 / 907 | 12850 / 660 |
| Rwork / Rfree | 0.214 / 0.251 | 0.254 / 0.289 |
| No. atoms | ||
| Protein | 3479 | 3405 |
| UK432097 | 57 | 57 |
| Lipids and others | 29 | 11 |
| WILSON B-factors (Å2) | 75.6 | 92.2 |
| Average B-factors (Å2) | ||
| A2a | 82.9 | 98.7 |
| T4L | 80.0 | 92.5 |
| UK432097 | 77.3 | 89.2 |
| Lipids and others | 124.8 | 111.3 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.003 |
| Bond angles (°) | 0.46 | 0.48 |
There were no Ramachandran outliers for any structures.
*
Values in parentheses are for highest-resolution shell.