Table 2. Data-collection and refinement statistics of PaFabB C161A.
Values in parentheses are for the highest resolution shell.
| Data collection and processing | |
| Space group | C 2 2 21 |
| a, b, c (Å) | 74.23, 102.30, 188.77 |
| α, β, γ (°) | 90.00 90.00 90.00 |
| Solvent content (%) | 40 |
| Diffraction data | |
| Resolution range (Å) | 47.2-1.3 (1.38-1.30) |
| Unique reflections | 339190 (54366) |
| Multiplicity | 6.84 (6.58) |
| R merge (%) | 5.8 (49.4) |
| Completeness (%) | 99.6 (98.6) |
| I/sigI | 19.11 (3.45) |
| Refinement | |
| R work/R free | 0.114/0.137 |
| Quaternary structure | dimer |
| Protein residues (in a dimer) | 808 |
| Water molecules (in a dimer) | 492 |
| Ions (in a dimer) | Iodide (11), Chloride (6) |
| Ligands (in a dimer) | 1,2-ETHANEDIOL (18) |
| R.m.s.d.s | |
| Bonds (Å) | 0.013 |
| Angles (Å) | 1.75 |
| Ramachandran plot,residues in (%) | |
| Favoured regions | 790 (96.02%) |
| Allowed regions | 33 (3.98%) |
| Outlier regions | 0 (0%) |
| Average B factors (Å 2) | |
| Protein atoms | 16.8 |
| Ions, Ligands, Waters | 30.7, 27.3, 30.0 |
| PDB code | 7PPS |