7VWF
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-08 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.557, 94.248, 96.308 |
| Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
| Resolution | 42.600 - 1.900 |
| R-factor | 0.2025 |
| Rwork | 0.202 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2znp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.627 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.037 | 0.445 |
| Rmeas | 0.044 | 0.529 |
| Rpim | 0.024 | 0.284 |
| Number of reflections | 104039 | 3528 |
| <I/σ(I)> | 12.8 | 1.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.999 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 14% PEG8000, 200MM KCL, 40MM BISTRIS ETHANE, 6% PROPANEDIOL, 0.5% N-HEPTYL-BETA-D-GLUCOPYRANOSIDE, 1MM EDTA, 1MM CACL2 |
