6KBA
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by co-crystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.949, 62.549, 53.572 |
| Unit cell angles | 90.00, 105.94, 90.00 |
Refinement procedure
| Resolution | 26.733 - 1.820 |
| R-factor | 0.2052 |
| Rwork | 0.204 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vi8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.660 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.11.1-2575-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.220 | 43.220 | 1.860 |
| High resolution limit [Å] | 1.820 | 9.100 | 1.820 |
| Rmerge | 0.023 | 0.013 | 0.300 |
| Rmeas | 0.028 | 0.015 | 0.354 |
| Rpim | 0.015 | 0.008 | 0.186 |
| Total number of observations | 87369 | ||
| Number of reflections | 25281 | 209 | 1496 |
| <I/σ(I)> | 24.3 | 81.9 | 3.5 |
| Completeness [%] | 98.4 | 95.7 | 98.2 |
| Redundancy | 3.5 | 3.3 | 3.5 |
| CC(1/2) | 1.000 | 1.000 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1 M HEPES (pH 7.0), 25 %(w/v) PEG3350 |
