7VWG
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38
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 | 39.500, 94.314, 96.247 |
Unit cell angles | 90.00, 97.37, 90.00 |
Refinement procedure
Resolution | 42.580 - 2.200 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2znp |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
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 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.061 | 0.427 |
Rmeas | 0.073 | 0.511 |
Rpim | 0.039 | 0.277 |
Number of reflections | 66164 | 3011 |
<I/σ(I)> | 12.8 | 3.1 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 3.4 | 3.3 |
CC(1/2) | 0.998 | 0.894 |
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 |