9IWN
X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-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 | 45.027, 61.496, 53.274 |
| Unit cell angles | 90.00, 106.29, 90.00 |
Refinement procedure
| Resolution | 43.219 - 1.590 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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] | 43.220 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.052 | 0.358 |
| Rmeas | 0.061 | 0.424 |
| Rpim | 0.033 | 0.224 |
| Total number of observations | 128017 | |
| Number of reflections | 37488 | 1857 |
| <I/σ(I)> | 14 | 3.2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1M HEPES (pH 7.0), 25% PEG 3350 |
