9VZT
X-ray structure of human PPARalpha ligand binding domain-10-oxostearic acid (10-oxoSA) co-crystals obtained by cross-seeding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.596, 61.498, 53.001 |
| Unit cell angles | 90.00, 106.66, 90.00 |
Refinement procedure
| Resolution | 30.749 - 1.475 |
| R-factor | 0.1887 |
| Rwork | 0.188 |
| R-free | 0.20190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.894 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1-2575-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.720 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.048 | 0.327 |
| Rmeas | 0.058 | 0.394 |
| Rpim | 0.031 | 0.217 |
| Total number of observations | 154650 | |
| Number of reflections | 46057 | 2157 |
| <I/σ(I)> | 14 | 3.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.4 | 3 |
| CC(1/2) | 0.998 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1M HEPES (pH 7.0), 25 % (w/v) PEG 3350 |
