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 |
