6KBA
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by 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 | 2019-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.949, 62.549, 53.572 |
Unit cell angles | 90.00, 105.94, 90.00 |
Refinement procedure
Resolution | 26.733 - 1.820 |
R-factor | 0.2052 |
Rwork | 0.204 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vi8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.660 |
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] | 43.220 | 43.220 | 1.860 |
High resolution limit [Å] | 1.820 | 9.100 | 1.820 |
Rmerge | 0.023 | 0.013 | 0.300 |
Rmeas | 0.028 | 0.015 | 0.354 |
Rpim | 0.015 | 0.008 | 0.186 |
Total number of observations | 87369 | ||
Number of reflections | 25281 | 209 | 1496 |
<I/σ(I)> | 24.3 | 81.9 | 3.5 |
Completeness [%] | 98.4 | 95.7 | 98.2 |
Redundancy | 3.5 | 3.3 | 3.5 |
CC(1/2) | 1.000 | 1.000 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M HEPES (pH 7.0), 25 %(w/v) PEG3350 |