6KB7
X-ray structure of human PPARalpha ligand binding domain-Wy14643 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 | 44.966, 62.700, 53.696 |
Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
Resolution | 32.948 - 2.140 |
R-factor | 0.2019 |
Rwork | 0.200 |
R-free | 0.23760 |
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] | 43.310 | 43.310 | 2.200 |
High resolution limit [Å] | 2.140 | 9.080 | 2.140 |
Rmerge | 0.041 | 0.015 | 0.266 |
Rmeas | 0.048 | 0.018 | 0.317 |
Rpim | 0.026 | 0.010 | 0.171 |
Number of reflections | 15861 | 210 | 1255 |
<I/σ(I)> | 17.6 | 59.3 | 4 |
Completeness [%] | 99.5 | 96.5 | 99.3 |
Redundancy | 3.5 | 3.3 | 3.3 |
CC(1/2) | 0.999 | 0.999 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M HEPES (pH 7.0), 25%(w/v) PEG3350 |