Table 1.
X-ray data collection and refinement
| CAG-CMBL3a(I) | CAG-CMBL3a(II) | CAG-CMBL3b | CAG-CMBL4 | CAG(Se)-CMBL3a | |
|---|---|---|---|---|---|
| Data collection | Native | Native | Native | Native | SAD |
| Space group | C2 | P212121 | P21 | P42212 | P6522 |
| Cell parameters (Å, °) | a = 77.0, b = 46.7, c = 54.8, β= 129.7 | a = 45.9, b = 51.3, c = 118.9 | a = 35.2 b = 51.0, c = 39.6 β = 104.1 | a = b = 37.9, c = 38.7 | a = b = 46.9, c = 214.0 |
| Resolution (Å) | 1.53 | 1.99 | 1.50 | 2.28 | 2.52 |
| Rmerge | 0.041 (1.29) | 0.092 (0.940) | 0.056 (0.752) | 0.095(0.679) | 0.113 (2.873) |
| I/σ | 11.9 (0.8) | 12.2 (2.2) | 11.0 (1.5) | 13.2 (2.7) | 18.3 (1.0) |
| CC1/2 | 99.9 (87.2) | 99.9 (92.3) | 99.8 (65) | 99.8 (97.6) | 99.9 (64.9) |
| Completeness (%) | 97.4 (96.2) | 99.9 (99.5) | 96.1 (94.3) | 99.7 (100.0) | 100.0(99.9) |
| Redundancy | 3.5 (3.4) | 10.1 (10.4) | 2.8 (2.7) | 8.2 (9.0) | 27.9 (28.5) |
| Refinement | |||||
| Overall mean B-factor (Å2) | 39.6 | 41.1 | 22.9 | 44.2 | 87.6 |
| Number of reflections | 22183 | 25185 | 20920 | 1427 | 8867 (unmerged) |
| R work/Rfree | 17.7/23.3 | 23.9/27.6 | 15.0/19.5 | 19.9/25.4 | 20.4/22.7 |
| RNA atoms | 680 | 1513 | 694 | 170 | 342 |
| Water molecules | 141 | 126 | 179 | 1 | 6 |
| No. ligands | 4 | 8 | 4 | 1 | 2 |
| RMSD in bonds (Å) | 0.010 | 0.006 | 0.009 | 0.008 | 0.012 |
| RMSD in angles (°) | 1.5 | 1.2 | 1.7 | 1.7 | 2.0 |
| PDB code | 6QIR | 6QIS | 6QIT | 6QIV | 6QIQ |