TABLE 2.
Data collection statistics for Epa1A and Epa6A complexes
Values for the highest resolution shell are shown in parentheses.
| Epa1A·T-antigen | Epa6A·lactose | Epa6A·T-antigen | Epa6A·N-acetyl-d-lactosamine | Epa6A·lacto-N-biose | Epa6A·α1–3-galactobiose | |
|---|---|---|---|---|---|---|
| PDB code | 4D3W | 4COU | 4COW | 4COY | 4COZ | 4COV |
| X-ray source | 14.1, BESSY | 14.1, BESSY | P14, PETRA III | 14.1, BESSY | P14, PETRA III | 14.1, BESSY |
| Wavelength (Å) | 0.91841 | 0.91841 | 0.826606 | 0.918409 | 0.826606 | 0.918409 |
| Cell dimensions (Å) | a = 55.01, b = 55.01, c = 139.75 | a = 41.3, b = 61.1, c = 106.3 | a = 41.35, b = 61.10, c = 106.61 | a = 41.47, b = 63.33, c = 110.25 | a = 41.28, b = 61.26, c = 106.62 | a = 41.52, b = 63.29, c = 110.30 |
| Resolution (Å) | 24.60-1.50 (1.58-1.50) | 28.77-1.48 (1.56-1.48) | 34.24-2.00 (2.11-2.00) | 41.58-1.80 (1.90-1.80) | 53.12-2.25 (2.37-2.25) | 41.58-1.50 (1.58-1.50) |
| Observed reflections | 384,090 | 174,129 | 109,348 | 146,305 | 120,749 | 257,032 |
| Unique reflections | 35,383 | 45,573 | 18,879 | 27,537 | 13,420 | 47,367 |
| Completeness (%) | 100 (100) | 99.7 (99.9) | 99.8 (99.7) | 99.5 (99.5) | 99.9 (100) | 99.9 (99.9) |
| Multiplicity | 10.9 (10.6) | 3.8 (3.8) | 5.8 (5.7) | 5.3 (5.0) | 9.0 (9.2) | 5.4 (5.2) |
| Mean I/σ(I) | 13.4 (4.2) | 21.1 (2.9) | 11.9 (2.7) | 17.1 (4.4) | 12.1 (3.5) | 20.7 (3.0) |
| Rmerge (%) | 10.1 (50.5) | 4.4 (57.1) | 12.3 (60.4) | 9.2 (40.4) | 17.3 (64.7) | 4.6 (52.0) |
| Rwork/Rfree (%) | 15.8/18.3 | 14.4/17.2 | 17.7/23.0 | 18.7/22.3 | 17.8/22.0 | 15.0/17.6 |
| Total reflections | 33528 | 44337 | 14534 | 26129 | 11930 | 46100 |
| Test set reflections | 1767 | 1173 | 740 | 1378 | 624 | 1223 |
| No. of atoms (total) | 2183 | 2109 | 2056 | 2197 | 2013 | 2219 |
| No. of atoms (water) | 234 | 245 | 198 | 320 | 178 | 338 |
| Mean B value (Å2) | 15.6 | 19.2 | 25.1 | 16.3 | 23.9 | 20.2 |
| Root mean square deviations bond lengths (Å) | 0.012 | 0.008 | 0.010 | 0.010 | 0.008 | 0.007 |
| Root mean square deviations bond angles (°) | 1.611 | 1.295 | 1.319 | 1.384 | 1.209 | 1.134 |