5U45
Human PPARdelta ligand-binding domain in complexed with specific agonist 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.530, 95.260, 96.440 |
Unit cell angles | 90.00, 97.56, 90.00 |
Refinement procedure
Resolution | 47.801 - 1.950 |
R-factor | 0.1921 |
Rwork | 0.190 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwz |
RMSD bond length | 0.004 |
RMSD bond angle | 0.874 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9pre_1665) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.260 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 50352 | |
<I/σ(I)> | 7.4 | 1 |
Completeness [%] | 97.6 | 70.7 |
Redundancy | 3.8 | 1.4 |
CC(1/2) | 0.994 | 0.497 |
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 |