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Refinement statistics for the TMB-1 crystal structure
| Parameter | Result |
|---|---|
| PDB code | 5MMD |
| Final Rwork | 0.1892 |
| Final Rfree | 0.2487 |
| No. of non-H atoms | |
| All atoms | 3,876 |
| Protein | 3,420 |
| Water | 448 |
| Ions | 5 Zn2+, 2 Cl− |
| RMSD | |
| Bonds (Å) | 0.013 |
| Angles (°) | 1.39 |
| Avg B factors (Å2) | |
| Protein | 25.90 |
| Solvent | 34.30 |
| Zn1/Zn2 | 28.50 |
| Occupancy, Zn1 (chain A/B) | 1.0/0.70 (Zn1a) and 0.30 (Zn1b) |
| Occupancy, Zn2 (chain A/B) | 0.95/1.0 |
| Ramachandran plot | |
| Most favored (%) | 98.15 |
| Allowed (%) | 1.39 |
| Disallowed (%) | 0.46 |
