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 |