6LX5
X-ray structure of human PPARalpha ligand binding domain-ciprofibrate 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 | 60.585, 101.350, 61.745 |
Unit cell angles | 90.00, 100.73, 90.00 |
Refinement procedure
Resolution | 36.407 - 1.870 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.22090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vi8 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.558 |
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] | 47.100 | 47.100 | 1.910 |
High resolution limit [Å] | 1.870 | 8.970 | 1.870 |
Rmerge | 0.037 | 0.018 | 0.396 |
Rmeas | 0.044 | 0.021 | 0.470 |
Rpim | 0.024 | 0.011 | 0.250 |
Number of reflections | 60218 | 566 | 3849 |
<I/σ(I)> | 18.2 | 2.9 | |
Completeness [%] | 99.6 | 98 | 99.2 |
Redundancy | 3.4 | 3.6 | 3.4 |
CC(1/2) | 0.999 | 0.999 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M HEPES (pH 7.5), 25 %(w/v) PEG3350 |