6K9H
Human LXR-beta in complex with an agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 |
| Unit cell lengths | 65.518, 65.518, 115.517 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 2.500 |
| R-factor | 0.26142 |
| Rwork | 0.260 |
| R-free | 0.28738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jio |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.181 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.600 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.059 | 0.707 |
| Number of reflections | 20316 | 1540 |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 5.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 22% PEG 3350, 0.1 M Tris HCl, pH 8.5 |
