2BA9
Crystal structure of CLA-producing fatty acid isomerase from P. acnes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.707, 60.759, 72.158 |
| Unit cell angles | 90.00, 115.85, 90.00 |
Refinement procedure
| Resolution | 46.370 - 1.950 |
| R-factor | 0.21495 |
| Rwork | 0.213 |
| R-free | 0.25908 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.228 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0013) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 37527 | |
| Completeness [%] | 100.0 | 98.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 5% PEG 400, 0.02M HEPES, 0.1M magnesium sulphate, 2.2M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
