TABLE 2.
Structural refinement statisticsa
| Parameter | Value |
|---|---|
| Final Rwork | 16.0% |
| Final Rfree | 19.2% |
| Highest resolution | 2.5 Å |
| Deviation from ideality | |
| rmsd in bond lengths | 0.006 Å |
| rmsd in bond angles | 1.2° |
| Ramachandran statistics | |
| Most favored phi-psi | 90.6% |
| Additionally allowed | 9.1% |
| Generously allowed | 0.3% |
| Average B values | |
| Protein (main chain) | 24.4 Å2 |
| Protein (side chains) | 28.9 Å2 |
| Ligands | 70.8 Å2 |
| Waters | 27.7 Å2 |
a
rmsd, root mean square deviation. Rwork = Σ|Fo − Fc|/Σ|Fo|, where Fo and Fc are observed and calculated structure factors, respectively. Rfree is the cross-validation R factor calculated with 5% of the data omitted from the refinement.