Extended Data Table 1.
Crystallographic refinement and statistics.
| RPo-pppApC | RPo-NAD+pC | RPo-dpCoApC | |
|---|---|---|---|
| Data collection | |||
| Space group | P2(1) | P2(1) | P2(1) |
| Cell dimensions | |||
| a, b, c (Å) | 186.0, 103.6, 297.4 | 185.0, 103.5, 296.3 | 185.8, 103.9, 297.1 |
| α, β, γ (°) | 90.0, 98.3, 90.0 | 90.0, 98.3, 90.0 | 90.0, 98.5, 90.0 |
| Resolution (Å) | 50.00–3.30(3.36–3.30)* | 50.00–3.00(3.05–3.00)* | 40.00–3.10(3.15–3.10)* |
| Rsym or Rmerge | 0.185(0.954) | 0.119(0.920) | 0.120(0.840) |
| I/σI | 8.7(1.7) | 10.6(1.5) | 10.4(1.4) |
| Completeness (%) | 0.961(0.875) | 0.979(0.934) | 0.989(0.960) |
| Redundancy | 5.4(5.0) | 4.0(3.7) | 3.8(3.5) |
| Refinement | |||
| Resolution (Å) | 50.00–3.30 | 50.00–3.00 | 40.00–3.10 |
| No. reflections | 154105 | 218773 | 187101 |
| Rwork/Rfree | 0.211/0.258 | 0.201/0.254 | 0.210/0.247 |
| No. atoms | |||
| Protein | 55006 | 54790 | 55297 |
| Ligand/ion | 1536 | 1664 | 1651 |
| Water | 58 | 895 | 775 |
| B-factors | |||
| Protein | 48.0 | 31.2 | 49.1 |
| Ligand/ion | 68.0 | 65.3 | 80.4 |
| Water | 12.9 | 11.7 | 27.4 |
| R.m.s deviations | |||
| Bond lengths (Å) | 0.004 | 0.008 | 0.004 |
| Bond angles (°) | 0.79 | 0.95 | 0.69 |
*
Highest resolution shell is shown in parenthesis.