4U18
Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase (ISO-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 | PSI PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.428, 91.915, 130.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.120 - 2.640 |
| R-factor | 0.19764 |
| Rwork | 0.194 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.478 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 2.730 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.117 | 1.222 |
| Number of reflections | 27223 | |
| <I/σ(I)> | 11.5 | 1.4 |
| Completeness [%] | 98.4 | 87.3 |
| Redundancy | 7.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100mM MES pH 6.5, 1M ammonium sulphate |
