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 |
