Table 3. Refinement statistics.
PDB code | 5lsc |
Final R work (%) | 13.55 |
Final R free (%) | 16.55 |
No. of non-H atoms | |
Protein | 3901 (chains A and B) |
Ions | 6 Zn2+, 6 Cl− |
Compound 1 | 56 (2 molecules) |
Water | 644 |
R.m.s. deviations | |
Bonds (Å) | 0.008 |
Angles (°) | 1.233 |
Average B factors (Å2) | |
Protein | 17.6 |
Ion | 15.9 |
Compound 1 (occupancy) | 21.3 (0.99/0.98) |
Water | 32.1 |
Ramachandran plot | |
Most favoured (%) | 98.3 |
Allowed (%) | 1.5 |