3IPQ
X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha
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 | 2007-04-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 125.593, 125.593, 92.405 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.750 - 2.000 |
| R-factor | 0.20085 |
| Rwork | 0.199 |
| R-free | 0.23358 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In-house LXR-alpha structure |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.485 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.750 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 25146 | |
| Completeness [%] | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100mM (NH4)2SO4, 40mM Tris-HCl pH 7.8, 60mM Imidazole pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
