Table 1. Statistics for SAD (SeMet) structure and molecular replacement.
| CMTr1126–550 SeMet (peak) | CMTr1126–550 | CMTr1126–550 complex with SAM and m7GpppG | CMTr1126–550 complex with SAM and m7GpppGAUC | |
|---|---|---|---|---|
| Data collection | ||||
| Space group | I 422 | I 422 | P 21 | P 1 |
| Cell dimensions | ||||
| a, b, c (Å) | 139.27, 139.27, 145.27 | 139.36, 139.36, 146.26 | 50.84, 87.63, 57.31 | 52.21, 60.04, 87.04 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 112.90, 90 | 90.23, 97.83, 116.25 |
| Wavelength | 0.97973 | 0.918410 | 0.918410 | 0.918410 |
| Resolution (Å)* | 50.0–2.9 (3.08–2.9) | 50.0–2.35 (2.48–2.35) | 50.0–1.9 (2.01–1.9) | 50.0–2.7 (2.86–2.7) |
| Rmerge (%) | 15.9 (59.2) | 12.8 (102.2) | 11.2 (73.1) | 14.9 (75.4) |
| I/σI | 10.66 (3.1) | 19.97 (2.93) | 11.44 (2.1) | 7.96 (1.9) |
| Completeness (%) | 99.8 (99.4) | 99.8 (99.2) | 99.4 (98.0) | 94.5 (93.9) |
| Redundancy | 3.93 | 12.31 | 3.8 | 1.98 |
| Refinement | ||||
| Resolution (Å) | 2.35 | 1.9 | 2.7 | |
| No. reflections | 30,223 | 36,369 | 24,703 | |
| Rwork/Rfree(%) | 15.39/19.57 | 15.38/20.31 | 18.20/24/15 | |
| Coordinate error (Å)† | 0.25 | 0.22 | 0.33 | |
| No. atoms | 3,569 | 3,877 | 6,807 | |
| Protein | 3,251 | 3,275 | 6,411 | |
| Ligand/ion | — | 60 | 266 | |
| Water | 318 | 542 | 130 | |
| Average B-factor (Å2) | ||||
| Overall | 33.1 | 16.4 | 29.0 | |
| Protein | 31.8 | 14.7 | 29.1 | |
| Ligand/ion | — | 11.7 | 27.9 | |
| Water | 38.6 | 25.5 | 23.7 | |
| RMSD | ||||
| Bond lengths (Å) | 0.008 | 0.012 | 0.004 | |
| Bond angles (°) | 1.154 | 1.302 | 0.791 | |
*Values in parentheses are for the highest resolution shell.
†maximum likelihood-based.