Table 5.
Summary of crystallographic data
| PDB ID | 3MGH (binary complex) | 3MG1 (ternary complex) |
|---|---|---|
| Unit cell dimensions (Å) | 95.529 × 190.931 × 58.724 | 56.188 × 63.315 × 140.477 |
| Space group | P21212 | P212121 |
| Number of observations | 327 225 | 122 110 |
| Unique reflections | 41 236 | 29 412 |
| Rsym (%) (last shell) | 14.7 (63.8) | 11.6 (64.6) |
| I/σI (last shell) | 10.1 (2.4) | 14.0 (2.4) |
| Completeness (%) (last shell) | 95.6 (88.8) | 99.8 (99.7) |
| Refinement statistics | ||
| Resolution (Å) | 2.40 | 2.60 |
| Rcryst (%) | 20.82 | 20.14 |
| Rfree (%) | 26.01 | 27.06 |
| Number of complexes in asymmetric unit | 2 | 1 |
| No. of atoms | ||
| Protein atoms | 4972 | 2440 |
| Water | 358 | 158 |
| Ions | 4 | 2 |
| Heteroatoms | 853 | 453 |
| Mean B value (Å2) | 45.05 | 39.83 |
| RMS deviation from ideal values | ||
| Bond length (Å) | 0.007 | 0.003 |
| Bond angle (°) | 1.192 | 0.736 |
| Ramachandran statistics Residues in | ||
| Favored regions (%) | 96.20 | 96.85 |
| Allowed regions (%) | 99.84 | 99.68 |