6KB3
X-ray structure of human PPARalpha ligand binding domain-GW7647 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 | 2019-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.804, 62.016, 53.076 |
Unit cell angles | 90.00, 106.50, 90.00 |
Refinement procedure
Resolution | 39.340 - 1.450 |
R-factor | 0.1882 |
Rwork | 0.187 |
R-free | 0.20800 |
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] | 42.960 | 42.960 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.027 | 0.011 | 0.329 |
Rmeas | 0.032 | 0.013 | 0.389 |
Rpim | 0.017 | 0.007 | 0.205 |
Total number of observations | 165408 | ||
Number of reflections | 48395 | 312 | 2364 |
<I/σ(I)> | 21.1 | 77.3 | 3.5 |
Completeness [%] | 98.0 | 95.6 | 96.9 |
Redundancy | 3.4 | 3.2 | 3.5 |
CC(1/2) | 1.000 | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Tris (pH 8.5), 25%(w/v) PEG3350 |