Table 1.
Crystallographic statistics
| Myoc-OLF(E396D)P21 (SeMet, PDB code 4WXU) | Myoc-OLF(E396D)I222 (highest resolution, PDB code 4WXS) | Wild-type Myoc-OLF (PDB code 4WXQ) | |
|---|---|---|---|
| Data collection | |||
| Wavelength (Å) | 0.979370 | 1.000000 | 1.033160 |
| Space group | P1211 | I222 | I222 |
| Cell dimensions | |||
| a, b, c (Å) | 49.48, 50.56, 50.54 | 68.88, 86.65, 87.44 | 68.66, 85.82, 88.44 |
| α, β, γ (°) | 90, 97.27, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 19.6–2.09 (2.17–2.09) | 19.79–1.9 (1.97–1.9) | 19.78–2.15 (2.23–2.15) |
| Rmerge | 0.1174 (0.4071) | 0.0884 (0.4386) | 0.1025 (0.4144) |
| I/σI | 25.23 (5.15) | 15.52 (4.21) | 15.54 (5.47) |
| Completeness (%) | 97.22 (71.65) | 99.98 (100.00) | 99.93 (99.93) |
| Redundancy | 13.9 (5.5) | 6.2 (6.3) | 7.3 (7.4) |
| Refinement | |||
| Resolution (Å) | 19.6–2.09 | 19.79–1.9 | 19.78–2.15 |
| No. of reflections | 200 752 (5952) | 130 265 (12 954) | 106 349 (10 383) |
| Rwork/Rfree | 0.1782/0.2014 | 0.1724/0.2098 | 0.1934/0.2306 |
| No. of atoms | |||
| Protein | 2079 | 2072 | 2065 |
| Ligand/ion | 36 | 40 | 66 |
| Water | 244 | 304 | 138 |
| B-factors | |||
| Protein | 11.10 | 21.10 | 24.10 |
| Ligand/ion | 20.10 | 37.10 | 34.50 |
| Water | 28.50 | 37.30 | 31.00 |
| Root mean squared deviations | |||
| Bond lengths (Å) | 0.005 | 0.005 | 0.002 |
| Bond angles (°) | 0.83 | 0.78 | 0.62 |
| Ramachandran favored and additional allowed (%) | 100 | 100 | 100 |