Table II.
Refinement Statistics
| QdtA with bound dTDP | QdtA H51N with bound dTDP-4-keto-6-deoxyglucose | |
|---|---|---|
| Resolution limits (Å) | 30.0–2.0 | 30–1.9 |
| aR-Factor (overall)%/no. reflections | 19.9/28352 | 20.3/33577 |
| R-Factor (working)%/no. reflections | 19.7/26835 | 20.1/31868 |
| R-Factor (free)%/no. reflections | 23.9/1517 | 24.1/1709 |
| Number of protein atoms | 2283 | 2316 |
| Number of heteroatoms | 195 | 274 |
| Average B values | ||
| Protein atoms (Å2) | 36.1 | 27.8 |
| Ligand (Å2) | 47.4 | 21.7 |
| Solvent (Å2) | 42.1 | 57.8 |
| Weighted RMS deviations from ideality | ||
| Bond lengths (Å) | 0.006 | 0.009 |
| Bond angles (°) | 2.4 | 1.4 |
| Planar groups (Å) | 0.012 | 0.006 |
| Ramachandran regions (%)b | ||
| Most favored | 89.4 | 89.9 |
| Additionally allowed | 9.3 | 9.7 |
| Generously allowed | 1.2 | 0.4 |
| Disallowed | 0.0 | 0.0 |
a
R-Factor = (Σ|Fo − Fc|/Σ|Fo|) × 100 where Fo is the observed structure factor amplitude and Fc. is the calculated structure factor amplitude.
b
Distribution of Ramachandran angles according to PROCHECK.20