5U3S
Human PPARdelta ligand-binding domain in complexed with specific agonist 3
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 | 2006-05-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.550, 94.190, 96.320 |
Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
Resolution | 47.682 - 2.000 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.24640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.214 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.010 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 59151 | |
<I/σ(I)> | 10.6 | 1.1 |
Completeness [%] | 99.2 | 99.5 |
Redundancy | 10.6 | 2.4 |
CC(1/2) | 0.994 | 0.424 |
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 |