6S5K
LXRbeta ligand binding domain in complex with small molecule inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 58.728, 58.728, 148.026 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.860 - 1.600 |
Rwork | 0.180 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.351 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135 2015/10/01) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.860 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 187172 | 4722 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 96.2 | |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 100 mM PIPES pH 7 and 17% PEG4000 |