Table 1.
PNGase refinement statistics
| His-tagged native | Intein-fused native | Mannopentaose complex | |
|---|---|---|---|
| Resolution limits, Å | 20–2.0 | 20–1.9 | 20–1.75 |
| Number of reflections | 12,453 | 14,827 | 33,995 |
| Number of protein/solvent atoms | 1,543/142 | 1,475/111 | 2,921/453 |
| R (Rfree) | 0.150 (0.207) | 0.167 (0.213) | 0.172 (0.208) |
| Deviations from ideality | |||
| Bond distances, Å | 0.014 | 0.017 | 0.015 |
| Bond angles, ° | 1.495 | 1.413 | 1.543 |
| Chiral volumes, Å3 | 0.096 | 0.094 | 0.125 |
| Planar groups, Å | 0.006 | 0.007 | 0.007 |
| Torsion angles, ° | 7.12, 32.44, 15.34 | 6.95, 36.77, 13.56 | 6.59, 36.55, 12.53 |
| Ramachandran statistics | 0.901/0.082/0.018/0 | 0.927/0.061/0.012/0 | 0.905/0.082/0.012/0 |
| Average B factor, Å2 | 29.4 | 44.3 | 18.6 |
Rcryst = Σ||Fo| − |Fc||/Σ|Fo|, where Fo and Fcare the observed and calculated structure factor amplitudes. Rfree is the same as Rcrystfor 5% of the data randomly omitted from refinement. Ramachandran statistics indicate the fraction of residues in the most favored, additionally allowed, generously allowed, and disallowed regions of the Ramachandran diagram, as defined by PROCHECK [CCP4 suite (35)].