8HUP
X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide 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 | 2022-06-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.812, 64.195, 123.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.218 - 2.360 |
| R-factor | 0.2064 |
| Rwork | 0.205 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wgo |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.771 |
| 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] | 46.220 | 46.220 | 2.450 |
| High resolution limit [Å] | 2.360 | 8.830 | 2.360 |
| Rmerge | 0.037 | 0.016 | 0.377 |
| Rmeas | 0.040 | 0.017 | 0.408 |
| Rpim | 0.015 | 0.007 | 0.154 |
| Total number of observations | 112561 | ||
| Number of reflections | 17012 | 378 | 1750 |
| <I/σ(I)> | 28 | 5.1 | |
| Completeness [%] | 99.9 | 97.5 | 99.9 |
| Redundancy | 6.6 | 5.5 | 6.9 |
| CC(1/2) | 1.000 | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Tris (pH 8.0), 1.1 M trisodium citrate |
