6KB5
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding
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 | 2019-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.855, 61.719, 53.245 |
Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
Resolution | 42.990 - 1.950 |
R-factor | 0.1842 |
Rwork | 0.182 |
R-free | 0.22100 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.990 | 42.990 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.055 | 0.018 | 0.370 |
Rmeas | 0.065 | 0.022 | 0.440 |
Rpim | 0.035 | 0.012 | 0.236 |
Number of reflections | 20293 | 216 | 1409 |
<I/σ(I)> | 15.4 | 42.9 | 3.7 |
Completeness [%] | 99.4 | 96.8 | 99.4 |
Redundancy | 3.4 | 3.1 | 3.4 |
CC(1/2) | 0.999 | 0.999 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Tris (pH 8.0), 25%(w/v) PEG3350 |