7E5G
HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH YN4pai OBTAINED BY SOAKING
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-12 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.841, 61.803, 53.134 |
| Unit cell angles | 90.00, 106.16, 90.00 |
Refinement procedure
| Resolution | 43.070 - 1.660 |
| R-factor | 0.205 |
| Rwork | 0.204 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2znn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.758 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.046 | 0.321 |
| Rmeas | 0.063 | 0.440 |
| Rpim | 0.044 | 0.300 |
| Number of reflections | 63155 | 1590 |
| <I/σ(I)> | 14.1 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.997 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Bis-Tris, 25% (w/v) polyethylene glycol (PEG) 3350 |
