9IWO
X-ray structure of human PPARalpha ligand binding domain-GW7647-PGC1alpha coactivator peptide co-crystals obtained by cross-seeding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-23 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.022, 62.201, 53.312 |
| Unit cell angles | 90.00, 106.16, 90.00 |
Refinement procedure
| Resolution | 43.240 - 1.490 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.081 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575-000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.240 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.033 | 0.343 |
| Rmeas | 0.040 | 0.416 |
| Rpim | 0.021 | 0.233 |
| Total number of observations | 154864 | |
| Number of reflections | 46042 | 2254 |
| <I/σ(I)> | 17.6 | 3 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 3.4 | 3 |
| CC(1/2) | 0.999 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1M HEPES (pH 7.0), 25% PEG 3350 |
