Table 1.
Data collection and refinement statistics.
| PDB ID: 9EDL | |
|---|---|
| Data Collection | |
| Resolution range (Å) | 47.39 – 1.95 (2.06 – 1.95) |
| Wavelength (Å) | 0.95373 |
| Space group | P212121 |
| Unit cell parameters (Å, °) | a= 43.74, b= 57.28, c= 168.81 α = β = γ = 90.00 |
| Number of molecules per asymmetric unit | 2 |
| Total number of reflections | 137047 (16557) |
| Number of unique reflections | 31035 (3729) |
| Completeness (%) | 99.2 (94.3) |
| Redundancy | 4.4 (4.4) |
| I/σ(I) | 8.2 (1.8) |
| Rmerge | 0.108 (0.685) |
| Rmeas | 0.123 (0.778) |
| Rpim | 0.058 (0.364) |
| CC(1/2) | 0.996 (0.802) |
| Refinement | |
| Resolution (Å) | 47.39 – 1.95 (2.06 – 1.95) |
| Rwork/Rfree | 18.36/22.58 (26.14/28.44) |
| Ccwork | 0.926 (0.88) |
| No. of atoms (excluding H) | |
| Protein | 3494 |
| Solvent | 266 |
| Zn2+ | 6 |
| PEG | 7 |
| Protein Residues | 448 |
| R.M.S.D from ideal geometry | |
| Bonds (Å) | 0.006 |
| Angles (°) | 0.73 |
| Ramachandran (%) | |
| Favoured | 98.87 |
| Allowed | 1.13 |
| Outliers | 0.00 |
| Rotamer Outliers (%) | 0.53 |
| Clashscore (%) | 2.70 |
| Average B-factors | |
| Overall | 32.95 |
| Protein | 32.55 |
| Solvent | 37.24 |
*Values in parentheses represent the highest resolution shell