6L38
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and 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 | 2018-12-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.414, 101.803, 64.724 |
Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
Resolution | 38.129 - 2.761 |
R-factor | 0.2023 |
Rwork | 0.200 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vi8 |
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 | Outer shell | |
Low resolution limit [Å] | 44.480 | 2.910 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.047 | 0.342 |
Rmeas | 0.056 | 0.402 |
Rpim | 0.029 | 0.210 |
Number of reflections | 19475 | 2812 |
<I/σ(I)> | 17.5 | 3.7 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M Tris (pH 8.0), 25 %(w/v) PEG3350 |