9RGS
Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in complex with 3S-hydroxyhexanoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-11 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.080, 93.692, 248.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 124.700 - 1.680 |
| Rwork | 0.209 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.792 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 124.700 | 1.890 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rpim | 0.063 | |
| Number of reflections | 113963 | 5698 |
| <I/σ(I)> | 6.1 | 1.6 |
| Completeness [%] | 55.8 | |
| Redundancy | 4 | |
| CC(1/2) | 0.989 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 100mM Tris, pH 7.5, 2.1M (NH4)2SO4, 5%v/v octanol |
