5U3Y
Human PPARdelta ligand-binding domain in complexed with specific agonist 9
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 | 2006-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.440, 94.940, 96.010 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 95.182 - 1.900 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwz |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.639 |
| 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] | 95.180 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 54673 | |
| <I/σ(I)> | 6.9 | 0.7 |
| Completeness [%] | 91.5 | 70.3 |
| Redundancy | 3.4 | 1.6 |
| CC(1/2) | 0.986 | 0.395 |
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 |
