6KB4
X-ray structure of human PPARalpha ligand binding domain-pemafibrate 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 | 2019-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.801, 61.148, 53.108 |
Unit cell angles | 90.00, 106.92, 90.00 |
Refinement procedure
Resolution | 30.574 - 1.420 |
R-factor | 0.1795 |
Rwork | 0.179 |
R-free | 0.19540 |
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] | 42.860 | 42.860 | 1.440 |
High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
Rmerge | 0.036 | 0.018 | 0.339 |
Rmeas | 0.042 | 0.022 | 0.403 |
Rpim | 0.023 | 0.012 | 0.215 |
Total number of observations | 175684 | ||
Number of reflections | 51434 | 324 | 2568 |
<I/σ(I)> | 17.8 | 54.1 | 3.6 |
Completeness [%] | 99.3 | 95.5 | 99.6 |
Redundancy | 3.4 | 3.1 | 3.5 |
CC(1/2) | 0.999 | 0.999 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Tris (pH 8.0), 25%(w/v) PEG3350 |