6LX4
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.941, 100.048, 62.022 |
Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
Resolution | 36.217 - 2.130 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vi8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.853 |
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] | 47.640 | 47.640 | 2.190 |
High resolution limit [Å] | 2.130 | 9.040 | 2.130 |
Rmerge | 0.064 | 0.018 | 0.383 |
Rmeas | 0.076 | 0.022 | 0.455 |
Rpim | 0.040 | 0.012 | 0.243 |
Number of reflections | 40400 | 536 | 3275 |
<I/σ(I)> | 14.9 | 3.3 | |
Completeness [%] | 99.1 | 97.3 | 98.7 |
Redundancy | 3.4 | 3.5 | 3.4 |
CC(1/2) | 0.998 | 0.999 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M Tris (pH 8.5), 25 %(w/v) PEG3350 |