8RCE
Crystal structure of PPAR alfa Ligand Binding Domain in complex with the ligand LBB78
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 | 2023-07-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.280, 62.280, 125.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.790 - 3.000 |
| R-factor | 0.23636 |
| Rwork | 0.229 |
| R-free | 0.29981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.621 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.790 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.100 |
| Rmerge | 0.172 | 1.771 |
| Rmeas | 0.193 | |
| Number of reflections | 5774 | 888 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 % PEG 3350, 0.2 M Mg acetate |
