Table 2.
Data collection statistics for Epa complexes obtained in this study
| Parameter | Epa9A–Galβ1-4Glc | Epa9A–Galβ1-3GlcNAc | Epa9A–Galβ1-4GlcNAc | Epa9ACBL2Epa1–Galβ1-4Glc | Epa1ACBL2Epa9–Galβ1-4Glc |
|---|---|---|---|---|---|
| PDB code | 4CP0 | 4CP1 | 4CP2 | 6Y98 | 6Y9J |
| Data collection | |||||
| X-ray source | BESSY II BL14.1 | BESSY II BL14.1 | BESSY II BL14.1 | ESRF ID23-1 | BESSY II BL14.1 |
| Space group | P3121 | P3121 | P3121 | P3121 | C2221 |
| Unit cell (Å) | a = b = 66.6, c = 118.0 | a = b = 66.6, c = 117.7 | a = b = 66.8, c = 116.0 | a = b = 65.3, c = 121.9 | a = 74.2, b = 104.1, c = 69.1 |
| Resolution range (Å) | 41.23–2.15 (2.27 - 2.15) | 41.21–2.50 (2.64–2.50) | 40.96–2.58 (2.72–2.58) | 40.63–2.8 (2.9–2.8) | 34.54–1.1 (1.139–1.1) |
| No. of reflections | 186,187 | 52,916 | 79,850 | 15,594 | 212,713 |
| Rmerge (%) | 9.9 (59.2) | 13.7 (50.7) | 12.3 (57.8) | 1.8 (44.0) | 2.1 (73.9) |
| I/σ(I) | 24.9 (4.9) | 12.5 (3.4) | 15.7 (3.7) | 19.5 (1.7) | 13.2 (1.0) |
| Completeness (%) | 99.9 (100) | 99.7 (99.9) | 99.9 (100) | 99.2 (100) | 99.1 (92.2) |
| Multiplicity | 10.9 (11.1) | 4.8 (4.9) | 8.1 (8.0) | 2.0 (2.0) | 2.0 (1.9) |
| Refinement | |||||
| Rwork/Rfree (%) | 16.3 (19.9)/19.4 (24.9) | 17.0 (24.0)/23.1 (38.1) | 18.1 (25.0)/24.2 (30.0) | 20.6 (35.3)/25.0 (40.7) | 14.7 (30.5)/16.7 (30.8) |
| No. of atoms | 2043 | 2008 | 1930 | 1861 | 2359 |
| Avg B factor (Å2) | 27.86 | 21.83 | 36.07 | 124.34 | 19.96 |
| r.m.s.d. | |||||
| Bond length (Å2) | 0.009 | 0.012 | 0.009 | 0.004 | 0.01 |
| Bond angles (°) | 1.263 | 1.498 | 1.330 | 1.02 | 1.46 |
| Ramachandran plot | |||||
| Favored (%) | 95.8 | 94.9 | 95.8 | 94.1 | 96.5 |
| Allowed (%) | 4.2 | 5.1 | 4.2 | 4.5 | 3.5 |
| Outliers (%) | 0.0 | 0.0 | 0.0 | 1.4 | 0.0 |
aValues for the outer shell are shown in parentheses.