Table 1. Data collection, phasing and refinement statistics.
| Data collection | Prp11 L153M mutant | SeMet derivative | ||
|---|---|---|---|---|
| Space group | I212121 | |||
| Cell dimensions (Å) | 100.78 × 127.26 × 169.17 | 99.47 × 123.78 × 167.59 | ||
| Peak | Inflection | Remote | ||
| Wavelength (Å) | 0.9793 | 0.9791 | 0.9794 | 0.9600 |
| Resolution range (Å) | 30–3.1 | 50–3.5 | 50–3.35 | 50–3.4 |
| No. reflections (total/unique) | 101 982/19 171 | 89 166/12 711 | 100 230/14 390 | 95 587/13 833 |
| Completeness (%) | 96.6 (83.0)a | 97.7 (100.0) | 97.4 (100.0) | 97.2 (100.0) |
| I/σ (I) | 19.8 (2.4) | 13.9 (3.6) | 14.0 (2.8) | 14.5 (3.7) |
| Rsym (%) | 7.0 (46.7) | 14.6 (45.6) | 14.5 (56.7) | 14.1 (44.4) |
| Refinement | ||||
| Resolution (Å) | 30–3.1 | 50–3.5 | ||
| Rwork/Rfree (%) | 22.8/27.7 | 26.3/29.3 | ||
| RMSD bond (Å) | 0.008 | 0.007 | ||
| RMSD angle (deg) | 0.625 | 0.682 | ||
| B factor (Å2) | 136.5 | 117.6 | ||
| Ramachandran values | ||||
| Most favoured (%) | 91.3 | 83.57 | ||
| Allowed (%) | 8.7 | 14.08 | ||
| Disallowed (%) | 0 | 2.35 | ||
| aValues in parentheses are for the highest-resolution shell. | ||||