4DK8
Crystal structure of LXR ligand binding domain in complex with partial agonist 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2001-10-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 88.145, 88.145, 198.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.730 - 2.750 |
R-factor | 0.312 |
Rwork | 0.245 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
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] | 40.000 | 40.000 | 2.850 |
High resolution limit [Å] | 2.750 | 5.920 | 2.750 |
Rmerge | 0.084 | 0.043 | 0.912 |
Number of reflections | 21100 | ||
<I/σ(I)> | 16.5 | 28 | 2.2 |
Completeness [%] | 99.6 | 97 | 100 |
Redundancy | 8.3 | 7.6 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 0.1 M Tris, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, pH 8, vapor diffusion, temperature 293K |