Table 1. Data collection and refinement statistics.
| Data set | H-tetra-BGA | A-penta-BGA | A-penta-HMO | ||
|---|---|---|---|---|---|
| CTB biotype | cCTB | ET CTB | cCTB | ET CTB | ET CTB |
| ESRF Beam line | ID29 | BM30A1 | ID29 | ID29 | ID29 |
| Space group | P212121 | P21(twinned) | P212121 | P212121 | P212121 |
| Unit cell parameters | |||||
| a (Å) | 72.3 | 63.7 | 69.7 | 63.5 | 63.6 |
| b (Å) | 99.0 | 80.9 | 69.8 | 83.0 | 84.7 |
| c (Å) | 152.0 | 95.7 | 134.7 | 196.5 | 195.7 |
| β (°) | 90 | 96.1 | 90 | 90 | 90 |
| Resolution (Å) | 49.5–1.1 | 47.6–1.5 | 48.5–1.4 | 49.1–1.6 | 48.9–1.6 |
| (1.14–1.08) | (1.59–1.50) | (1.48–1.40) | (1.70–1.60) | (1.64–1.55) | |
| No. of unique reflections | 369957 | 146071 | 129054 | 136523 | 153547 |
| (14508) | (21274) | (20478) | (21669) | (24396) | |
| Redundancy | 5.7 (2.7) | 2.6 (2.4) | 4.4(4.2) | 4.7 (4.5) | 5.2 (5.0) |
| Completeness (%) | 78.9 (19.3) | 94.4 (85.2) | 99.1 (98.1) | 99.2 (98.6) | 99.6 (98.8) |
| I/σ (I) | 12.5 (1.0) | 9.2 (1.3) | 10.9 (1.3) | 7.8 (0.9) | 9.2 (1.2) |
| R meas | 7.0 (101) | 8.0 (79) | 7.6 (113) | 12.6 (116) | 12.7(125) |
| CC1/2 | 99.9 (52.0) | 99.7 (55.0) | 99.8 (46.7) | 99.7 (40.4) | 99.8 (41.6) |
| R cryst / R free (%) | 12.1 / 15.6 | 22.1 / 26.0 | 17.1 / 19.4 | 18.3 / 22.7 | 17.9 / 22.0 |
| r.m.s.d. bond lengths (Å) | 0.021 | 0.015 | 0.015 | 0.014 | 0.017 |
| r.m.s.d. bond angles (°) | 2.22 | 1.96 | 1.81 | 2.11 | 1.90 |
| Average B-factor (Å2) | |||||
| Backbone | 11.6 | 17.8 | 15.0 | 19.3 | 18.0 |
| Side chains + solutes | 18.6 | 21.1 | 19.9 | 24.0 | 23.2 |
| Oligosaccharides | 18.7 | 25.3 | 22.8 | 31.1 | 30.2 |
| All atoms | 16.0 | 19.7 | 18.0 | 22.0 | 21.1 |
| Ramachandran plot profile (%) | |||||
| Favored | 97.4 | 97.6 | 97.6 | 97.3 | 97.4 |
| Allowed | 2.6 | 2.4 | 2.4 | 2.7 | 2.6 |
| Disallowed | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 |
| PDB ID | 5ELB | 5ELC | 5ELD | 5ELE | 5ELF |
Values in parentheses refer to the highest resolution shells.