Table 1.
Data collection and refinement statistics
| AfC3PO Selenomethionine SAD |
AfC3PO (D114A) – RNA complex |
Apo AfC3PO (wild type) |
|
|---|---|---|---|
| Data collection | |||
| Space group | P42212 | P3121 | P42212 |
| Cell dimensions a, b, c (Å) |
182.30, 182.30, 109.39 |
183.06, 183.06, 198.12 |
183.31, 183.31, 111.28 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 93.80–3.41 (3.50– 3.41) |
123.78–2.98 (3.06–2.98) |
70.75–3.27 (3.35–3.27) |
| R merge | 0.114 (0.699) | 0.110 (0.827) | 0.077 (0.752) |
| I / σI | 16.0 (4.1) | 14.6 (3.2) | 17.5 (2.8) |
| Completeness (%) | 99.9 (99.9) | 100.0 (100.0) | 99.9 (100.0) |
| Redundancy | 14.3 (14.8) | 10.1 (10.6) | 9.2 (9.5) |
| Refinement | |||
| Resolution (Å) | 83.09–2.98 | 53.56–3.27 | |
| No. reflections | 78,400 | 29,852 | |
| Rwork / Rfree | 0.208 / 0.257 | 0.221 / 0.281 | |
| No. atoms | |||
| Protein | 18106 | 11807 | |
| RNA | 1680 | Not applicable | |
| Ligand/ion | 16 | 5 | |
| Water | 86 | 8 | |
| B-factors | |||
| Protein | 54.3 | 103.6 | |
| RNA | 79.2 | Not applicable | |
| Ligand/ion | 56.9 | 85.9 | |
| Water | 44.0 | 84.9 | |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.021 | 0.010 | |
| Bond angles (°) | 1.242 | 1.279 |
Values in parentheses are for highest-resolution shells. A single crystal was used for each dataset.