2B9Y
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 |
Spacegroup name | I 21 3 |
Unit cell lengths | 160.448, 160.448, 160.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.870 - 2.210 |
R-factor | 0.15831 |
Rwork | 0.156 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.340 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 32918 | |
Completeness [%] | 94.3 | 49.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 2% 1,4-butanediol, 0.02M Bis-Tris, 2M lithium sulphate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |