Table 5.
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 |