2BAC
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 |
| Collection date | 2005-07-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.654, 60.820, 71.779 |
| Unit cell angles | 90.00, 117.67, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.1613 |
| Rwork | 0.158 |
| R-free | 0.22777 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.305 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 20803 | |
| <I/σ(I)> | 12.8 | 3 |
| Completeness [%] | 85.3 | 14.7 |
| Redundancy | 3.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 0.6% 2-methyl-2,4-pentanediol, 0.1M HEPES, 2M ammonium suplhate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
