6L38
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and 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 | 2018-12-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.414, 101.803, 64.724 |
| Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
| Resolution | 38.129 - 2.761 |
| R-factor | 0.2023 |
| Rwork | 0.200 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vi8 |
| 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 | Outer shell | |
| Low resolution limit [Å] | 44.480 | 2.910 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.047 | 0.342 |
| Rmeas | 0.056 | 0.402 |
| Rpim | 0.029 | 0.210 |
| Number of reflections | 19475 | 2812 |
| <I/σ(I)> | 17.5 | 3.7 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1 M Tris (pH 8.0), 25 %(w/v) PEG3350 |
