Table 2.
Data collection and refinement statistics for the ROQ domain in complex with UCP3 CDEs
| Data collection | ||
| PDB ID | 6TQB | 6TQA |
| RNA name | CDE1GG | CDE2GG |
| Beamline | SLS PXIII X06DA | SLS PXIII X06DA |
| Wavelength (Å) | 1.0 | 1.0 |
| Space group | P42212 | P21 |
| Cell dimensions a, b, c (Å) | 86.99, 86.99, 72.99 | 44.53, 160.66, 68.01 |
| α, β, γ (°) | 90, 90, 90 | 90, 107.96, 90 |
| No. of molecules per asymmetric unit | 2 (1 protein + 1 RNA) | 8 (4 protein + 4 RNA) |
| Resolution (Å) | 47–1.6 | 50–2.4 |
| (1.64–1.60)* | (2.46–2.40)* | |
| R merge | 4.7 (73.6) | 10.0 (83.7) |
| I / σI | 23.16 (2.46) | 14.05 (2.15) |
| CC (1/2) | 100 (79.7) | 100 (63.1) |
| Completeness (%) | 96.9 (75.5) | 99.6 (99.8) |
| Redundancy | 8.4 (6.3) | 5.2 (5.1) |
| Refinement | ||
| Resolution (Å) | 47-1.6 | 50-2.4 |
| (1.642–1.600) | (2.462–2.400) | |
| No. reflections | 36 355 (2052) | 33 655 (2618) |
| R work/Rfree | 15.63/19.72 | 19.68/25.90 |
| (23.80/24.10) | (29.40/34.60) | |
| No. atoms | 2195 | 6,942 |
| Protein | 1224 | 4847 |
| RNA | 400 | 1796 |
| Water | 241 | 295 |
| Ions | 7 | 4 |
| B-factor overall | 28.25 | 55.20 |
| RMSDs | ||
| Bond lengths (Å) | 0.013 | 0.01 |
| Bond angles (°) | 1.836 | 1.796 |
| Ramachandran plot | ||
| Most favored (%) | 100 | 96 |
| Additional allowed (%) | 0 | 4 |
*Values in parentheses are for highest-resolution shell.