7WGP
X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid 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 | 2021-06-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.161, 64.464, 124.171 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.718 - 2.530 |
| R-factor | 0.2117 |
| Rwork | 0.209 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wm0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.794 |
| 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] | 46.510 | 46.510 | 2.640 |
| High resolution limit [Å] | 2.530 | 8.770 | 2.530 |
| Rmerge | 0.084 | 0.056 | 0.374 |
| Rmeas | 0.092 | 0.061 | 0.406 |
| Rpim | 0.036 | 0.023 | 0.156 |
| Total number of observations | 88566 | 2267 | 10466 |
| Number of reflections | 13952 | 400 | 1611 |
| <I/σ(I)> | 10.8 | 21.3 | 2.8 |
| Completeness [%] | 99.3 | 99.2 | 95.4 |
| Redundancy | 6.3 | 5.7 | 6.5 |
| CC(1/2) | 0.998 | 0.997 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Tris (pH 8.0), 1.1 M trisodium citrate |
