Table 1.
Data collection and crystallographic refinement statistics
| Unliganded Fab | Fab-monosaccharide complex | Fab-disaccharide complex | |
|---|---|---|---|
| Data collection | |||
| Total observations | 138,386 | 58,457 | 27,225 |
| Unique reflections | 20,292 | 19,770 | 9,638 |
| Resolution, Å | 20–2.3 (2.4–2.3) | 20–2.3 (2.4–2.3) | 20–2.8 (2.9–2.8) |
| Completeness, % | 98.8 (95.8) | 96.6 (88.9) | 94.5 (91.3) |
| Rsym, % | 10.1 (38.8) | 7.6 (32.8) | 7.8 (29.6) |
| I > 2σ(I), % | 81.5 (54.0) | 78.9 (54.9) | 79.7 (53.4) |
| Refinement | |||
| Resolution, Å | 10–2.3 (2.4–2.3) | 10–2.3 (2.4–2.3) | 10–2.8 (2.9–2.8) |
| Nref | 20,016 (2,057) | 19,506 (1,924) | 9,435 (947) |
| R factor, % | 19.6 (21.9) | 18.6 (22.4) | 22.6 (27.2) |
| Free R factor, % | 26.1 (30.0) | 25.3 (30.5) | 35.4 (50.7) |
| rms | |||
| Bond lengths, Å | 0.016 | 0.015 | 0.018 |
| Bond angle distances, Å | 0.045 | 0.045 | 0.060 |
| Residues | 426 | 426 | 426 |
| Protein atoms | 3,154 | 3,154 | 3,194 |
| Sugar atoms | — | 20 | 37 |
| Water molecules | 51 | 57 | — |
Values in parentheses correspond to the highest resolution shell.