Table 1.
Data collection and refinement statistics
| ItaT (G115D) | |
|---|---|
| Data collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 70.18, 45.22, 120.38 |
| β (°) | 92.77 |
| Wavelength (Å) | 0.98000 |
| Resolution (Å)* | 50–2.8 (2.899–2.799) |
| No. of measured reflections | 260534 |
| No. of unique reflections | 19048 |
| R sym* | 0.193 (1.866) |
| I / σI * | 13.9 (1.5) |
| CC 1/2* | 99.7 (60.7) |
| Completeness (%)* | 99.9 (99.2) |
| Redundancy* | 13.7 (14.0) |
| Refinement | |
| Resolution (Å) | 20–2.8 |
| No. reflections | 18977 |
| R work/Rfree (%) | 0.2373/0.2958 |
| No. atoms | |
| Protein | 5518 |
| Water | 31 |
| B-factors (Å2) | |
| Protein | 73.00 |
| Water | 44.35 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 1.00 |
*Values in parentheses are for the highest-resolution shell.