TABLE 1.
X-ray data and structure quality statistics for vCBM60 and its complexes
| vCBM60 native | vCBM60 SeMeta | vCBM60 cellobiose | vCBM60 galactobiose | |
|---|---|---|---|---|
| Resolution of data (outer shell), Å | 102.3-1.60 (1.69-1.60) | 34.1-1.74 (1.8-1.74) | 40.04-1.19 (1.22-1.19) | 36.71-1.82 (1.87-1.82) |
| Rmerge (outer shell) | 0.07 (0.23) | 0.07 (0.21) | 0.06 (0.18) | 0.06 (0.14) |
| Mean I/σI (outer shell) | 29.5 (7.8) | 34.8 (12.3) | 12.9 (6.7) | 41.5 (15.6) |
| Completeness (outer shell), % | 100.0 (100.0) | 99.9 (99.9) | 98.4 (98.8) | 100 (100) |
| Rcryst/Rfree (%) | 12.6/18.6 | 13.0/21.0 | 16.4/19.7 | 15.0/20.1 |
| Root mean square deviation, 1–2 bonds (Å) | 0.012 | 0.015 | 0.029 | 0.023 |
| Root mean square deviation, 1–3 bonds (°) | 1.44 | 1.55 | 2.3 | 2.2 |
| Root mean square deviation, chiral volume (Å3) | 0.07 | 0.08 | 0.15 | 0.25 |
| Avg. main chain B (Å2) | 10 | 17 | 7 | 9 |
| Avg. side chain B (Å2) | 14 | 21 | 9 | 11 |
| Avg. solvent B (Å2) | 19 | 31 | 24 | 21 |
| Nb Ramachandran outliers | 0 | 0 | 0 | 0 |
| PDB code | 2xhh | 2xhj | 2xfd | 2xfe |
a SeMet, selenomethionine.