8HUM
X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization
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 | 2021-03-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.862, 63.728, 123.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.270 - 2.290 |
| R-factor | 0.2081 |
| Rwork | 0.206 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wm0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.028 |
| 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] | 46.230 | 46.230 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
| Rmerge | 0.041 | 0.016 | 0.355 |
| Rmeas | 0.045 | 0.018 | 0.386 |
| Rpim | 0.018 | 0.007 | 0.150 |
| Total number of observations | 117464 | ||
| Number of reflections | 18352 | 378 | 1797 |
| <I/σ(I)> | 21.6 | 3.9 | |
| Completeness [%] | 99.8 | 99.1 | 99.9 |
| Redundancy | 6.4 | 5.6 | 6.5 |
| CC(1/2) | 0.999 | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M HEPES (pH 7.5), 1.0 M trisodium citrate |
