4QLY
Crystal structure of CLA-ER, a novel enone reductase catalyzing a key step of a gut-bacterial fatty acid saturation metabolism, biohydrogenation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.710, 60.913, 72.561 |
| Unit cell angles | 85.57, 98.92, 111.62 |
Refinement procedure
| Resolution | 19.895 - 2.005 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kqb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.041 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 50917 | |
| <I/σ(I)> | 17.52 | 2.35 |
| Completeness [%] | 96.8 | 84.2 |
| Redundancy | 3.83 | 2.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M Bis-Tris, 21%(w/v) PEG monomethyl ether 5000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
