Table 1:
Data collection and refinement statistics
| LotAN (1–294) | LotAN (1–276) : K6 diUb | |
|---|---|---|
| Data collection | ||
| Wavelength | 0.979460 | 0.979460 |
| Space group | P 41 21 2 | P 4 2 2 |
| Cell dimensions | ||
| a, b, c (Å) | 86.25, 86.25, 92.30 | 127.28, 127.28, 77.99 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 39.07–1.50 (1.50–1.53) | 38.99–2.80 (2.80–2.95) |
| R merge | 0.035 (0.819) | 0.257 (1.15) |
| I/σI | 26.6 (2.2) | 6.4 (2.0) |
| Completeness (%) | 99.9 (99.7) | 99.9 (100) |
| Redundancy | 6.5 (6.5) | 6.5 (6.7) |
| Phasing | ||
| Method | SAD | MR |
| SAD Resolution | 1.50 | - |
| SAD Anom completeness | 99.6 (99.5) | - |
| SAD Anom multiplicity | 3.4 (3.3) | - |
| SAD FOM | 0.733 | - |
| MR Search Models | - | LotAN, Ub (1UBQ) |
| Refinement | ||
| Resolution (Å) | 35.59–1.50 | 38.99–2.80 |
| No. unique reflections / test set | 56168 / 2895 | 16316 / 822 |
| R work /R free | 0.195/0.221 | 0.207/0.259 |
| No. atoms | ||
| Protein | 2174 | 3399 |
| Ligand/ion | 19 | 0 |
| Water | 286 | 59 |
| B-factors | ||
| Protein | 32.81 | 47.04 |
| Ligand/ion | 54.93 | - |
| Water | 39.12 | 33.63 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.006 | 0.006 |
| Bond angles (°) | 0.77 | 1.04 |
| Ramachandran statistics | ||
| Favored / allowed / outliers | 96.7 / 3.3 / 0 | 97.2 / 2.8 / 0 |
Values in parentheses are for highest resolution shell.