5U3W
Human PPARdelta ligand-binding domain in complexed with specific agonist 7
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 | 2016-04-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.560, 94.810, 96.610 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 42.684 - 1.800 |
| R-factor | 0.1927 |
| Rwork | 0.192 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.289 |
| 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] | 94.810 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 85744 | |
| <I/σ(I)> | 5.2 | 0.5 |
| Completeness [%] | 84.0 | 42.1 |
| Redundancy | 3.6 | 1.2 |
| CC(1/2) | 0.988 | 0.403 |
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 |
