5U3W
Human PPARdelta ligand-binding domain in complexed with specific agonist 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.560, 94.810, 96.610 |
Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
Resolution | 42.684 - 1.800 |
R-factor | 0.1927 |
Rwork | 0.192 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.289 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9pre_1665) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.810 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 85744 | |
<I/σ(I)> | 5.2 | 0.5 |
Completeness [%] | 84.0 | 42.1 |
Redundancy | 3.6 | 1.2 |
CC(1/2) | 0.988 | 0.403 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | Bis-tris propane, potassium chloride, PEG 8000, 1,2-propandiol, EDTA, DTT |