Table I.
Refinement statistics
R factor = Σ‖Fobs| − Σ|Fcalc‖/Σ|Fobs|. Rfree was calculated with the 5% of reflections set aside randomly throughout the refinement.
| TaGlu1b | |
|---|---|
| Space group | P4132 |
| Cell dimensions a, b, c (Å) | 194.6, 194.6, 194.6 |
| Resolution (Å) | 50-1.8 |
| No. reflections | 2,667,849 |
| Unique reflections | 217,826 |
| Redundancy | 12.2 |
| Completeness (%) | 98.6 |
| Rwork/Rfree | 19.0/20.4 |
| No. atoms | |
| Water | 620 |
| Luzzati ESD (obs) | 0.19 |
| Luzzati Sigma A (obs) | 0.13 |
| Luzzati ESD (Rfree) | 0.21 |
| Luzzati Sigma A (Rfree) | 0.13 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 1.3 |