9RGU
Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in complex with 3S hydroxyhexanoyl-PAN and 3',5', diphosphate adenosine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-17 |
| Detector | DECTRIS EIGER2 XE CdTe 16M |
| Wavelength(s) | 0.7290 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.833, 92.997, 247.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.900 - 1.700 |
| Rwork | 0.217 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.949 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.037 | |
| Number of reflections | 192681 | 9478 |
| <I/σ(I)> | 14 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.6 | |
| CC(1/2) | 0.999 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 100mM Tris, pH 7.5, 2.1M (NH4)2SO4, 10% octanol |
