6L36
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid 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 | 60.773, 102.550, 62.087 |
| Unit cell angles | 90.00, 97.86, 90.00 |
Refinement procedure
| Resolution | 40.350 - 3.301 |
| R-factor | 0.1935 |
| Rwork | 0.190 |
| R-free | 0.24950 |
| 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] | 46.310 | 3.570 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.063 | 0.314 |
| Rmeas | 0.075 | 0.369 |
| Rpim | 0.040 | 0.192 |
| Number of reflections | 11392 | 2337 |
| <I/σ(I)> | 14.4 | 4.3 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1 M Tris (pH 8.0), 25 %(w/v) PEG3350 |
