4ZDC
Yeast enoyl-CoA isomerase complexed with octanoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2014-02-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 117.260, 117.260, 219.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.310 - 2.130 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.19016 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k39 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.310 | 2.170 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.094 | 1.181 |
| Number of reflections | 86227 | |
| <I/σ(I)> | 12.6 | 1.7 |
| Completeness [%] | 99.8 | 97.4 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 100 mM HEPES pH 7.0, 1.5 M (NH4)2SO4 |
