Data collection and refinement statistics
| . | PZ:ZPI complex (PDB 3F1S) . |
|---|---|
| Data collection | |
| Space group | P 21 21 21 |
| Cell dimensions | A = 68.56 Å, b = 96.51 Å, c = 117.08 Å, α = β = γ = 90° |
| Molecules in the asymmetric unit | One PZ and one ZPI |
| Resolution, Å | 44.63-2.3 (2.42-2.3) |
| I/σI | 15.4 (1.5) |
| Total number of measured reflections | 174 258 (10 388) |
| Total number of unique reflections | 32 582 (3462) |
| Completeness, % | 92.6 (69.4) |
| Multiplicity | 5.3 (3.0) |
| R merge, % | 6.7 (56.1) |
| R meas, % | 8.0 (71.1) |
| Refinement | |
| R work | 0.225 |
| R free | 0.270 |
| No. of atoms | |
| Protein | 5143 |
| Water | 82 |
| Citrate | 13 |
| Chloride | 1 |
| Average B factor, Å2 | 29.2 |
| RMS deviation | |
| Bond length, Å | 0.0058 |
| Bond angles, ° | 0.936 |
| Ramachandran plot (residues) | |
| Ramachandran favored, % | 97.32 |
| Ramachandran outliers | 0 |
| MolProbity score | 98th percentile* (n = 8909, 2.05-2.55 Å) |
| . | PZ:ZPI complex (PDB 3F1S) . |
|---|---|
| Data collection | |
| Space group | P 21 21 21 |
| Cell dimensions | A = 68.56 Å, b = 96.51 Å, c = 117.08 Å, α = β = γ = 90° |
| Molecules in the asymmetric unit | One PZ and one ZPI |
| Resolution, Å | 44.63-2.3 (2.42-2.3) |
| I/σI | 15.4 (1.5) |
| Total number of measured reflections | 174 258 (10 388) |
| Total number of unique reflections | 32 582 (3462) |
| Completeness, % | 92.6 (69.4) |
| Multiplicity | 5.3 (3.0) |
| R merge, % | 6.7 (56.1) |
| R meas, % | 8.0 (71.1) |
| Refinement | |
| R work | 0.225 |
| R free | 0.270 |
| No. of atoms | |
| Protein | 5143 |
| Water | 82 |
| Citrate | 13 |
| Chloride | 1 |
| Average B factor, Å2 | 29.2 |
| RMS deviation | |
| Bond length, Å | 0.0058 |
| Bond angles, ° | 0.936 |
| Ramachandran plot (residues) | |
| Ramachandran favored, % | 97.32 |
| Ramachandran outliers | 0 |
| MolProbity score | 98th percentile* (n = 8909, 2.05-2.55 Å) |
RMS indicates root mean square.
Among structures of comparable resolution, 100th percentile is the best, 0th percentile the worst.