5U43
Human PPARdelta ligand-binding domain in complexed with specific agonist 12
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 | 39.640, 95.010, 96.320 |
Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
Resolution | 35.406 - 1.900 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.240 |
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] | 47.740 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 64330 | |
<I/σ(I)> | 40.9 | |
Completeness [%] | 98.3 | 79.9 |
Redundancy | 3.5 | 1.6 |
CC(1/2) | 0.992 | 0.662 |
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 |