Table 4. Model statistics for the three structures deposited in the Protein Data Bank.
H atoms were included in the models as riding atoms in REFMAC5 and refined with tight stereochemical restraints in CNS.
| Room temperature | Low temperature | ||
|---|---|---|---|
| Refinement program | REFMAC5 | CNS | REFMAC5 |
| Refinement mode | NCS restrained | NCS constrained | NCS restrained |
| Resolution (Å) | 87.04–1.82 | 48.35–1.45 | 48.35–1.45 |
| No. of reflections (work/test) | 264332/3984 | 542362/28359 | 542362/28359 |
| R work/R free | 0.123/0.156 | 0.278/0.279 | 0.217/0.250 |
| No. of refined atoms | |||
| Protein (non-H/H) | 18231/18751 | 1205/1241 | 18067/18670 |
| RNA (non-H/H) | 6720/3300 | 448/219 | 6720/3285 |
| Ions | 71 | 16 | 233 |
| Water | 3381 | 277 | 4276 |
| B factors 〈B〉 (Å2) | |||
| Protein | 22.0 | 25.4 | 27.4 |
| RNA | 108.2 | 72.8 | 112.6 |
| Ions | 25.7 | 42.0 | 61.4 |
| Water | 41.8 | 45.1 | 42.7 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.009 | 0.007 | 0.009 |
| Bond angles (°) | 1.26 | 1.28 | 1.25 |