Table 3. Data collection and refinement statistics (molecular replacement).
| Non-pThr172 complex with 991/AMP bound (PDB ID: 5ISO) | |
|---|---|
| Data collection | |
| Space group | P1212 |
| Cell dimensions | |
| a, b, c (Å) | 75.42, 129.30, 139.28 |
| α, β, γ (°) | 90, 92.73, 90 |
| Resolution (Å) | 19.97–2.63 (2.72–2.63)1 |
| Rsym or Rmerge | 0.03 (0.40) |
| Ι/σI | 14.69 (2.20) |
| Completeness (%) | 99.12 (99.85) |
| Redundancy | 3.4 (1.9) |
| Refinement | |
| Resolution (Å) | 19.97–2.63 (2.72–2.63) |
| No. of reflections | 78 451 (7875) |
| Rwork/Rfree | 0.256/0.189 |
| No. of atoms | 15 048 |
| Protein | 14 835 |
| Ligand/ion | 132 |
| Water | 81 |
| B-factors | 82.50 |
| Protein | 82.70 |
| Ligand/ion | 62.80 |
| Water | 73.70 |
| r.m.s deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.22 |
1 Highest resolution shell is shown in parenthesis.