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 |