5HJS
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 125.007, 125.007, 92.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.460 - 1.720 |
R-factor | 0.2099 |
Rwork | 0.208 |
R-free | 0.23840 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 63.850 |
High resolution limit [Å] | 1.720 |
Number of reflections | 61151 |
<I/σ(I)> | 7.4 |
Completeness [%] | 78.6 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG MME 2000, 0.1M Ammonium Sulfate, 0.1M Tris buffer pH 7.8 |