4U19
Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase V349A mutant (ISOA-ECI2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.609, 123.690, 128.933 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.600 - 1.880 |
| R-factor | 0.18645 |
| Rwork | 0.184 |
| R-free | 0.23441 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f6q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.703 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.610 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.139 | 1.441 |
| Number of reflections | 62659 | |
| <I/σ(I)> | 12 | 1.5 |
| Completeness [%] | 99.5 | 96.8 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100mM HEPES pH 7.5, 10% PEG 6000, 5% MPD |
