5U3U
Human PPARdelta ligand-binding domain in complexed with specific agonist 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.600, 94.550, 96.570 |
Unit cell angles | 90.00, 97.91, 90.00 |
Refinement procedure
Resolution | 38.182 - 2.100 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
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] | 47.830 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 48868 | |
<I/σ(I)> | 6.1 | 0.7 |
Completeness [%] | 81.6 | 86.1 |
Redundancy | 2.4 | 2.3 |
CC(1/2) | 0.976 | 0.437 |
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 |