4DK7
Crystal structure of LXR ligand binding domain in complex with full agonist 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 87.261, 87.261, 197.709 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.450 |
R-factor | 0.276 |
Rwork | 0.230 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.540 |
High resolution limit [Å] | 2.450 | 5.250 | 2.450 |
Rmerge | 0.060 | 0.029 | 0.779 |
Number of reflections | 28779 | ||
<I/σ(I)> | 11 | 31.2 | 2 |
Completeness [%] | 99.9 | 99.5 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 0.1 M Tris pH 8, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, vapor diffusion, temperature 293K |