5JY3
CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.660, 120.350, 55.720 |
| Unit cell angles | 90.00, 107.49, 90.00 |
Refinement procedure
| Resolution | 99.010 - 2.400 |
| R-factor | 0.2288 |
| Rwork | 0.225 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.443 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.010 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.182 | 2.010 |
| Number of reflections | 56715 | |
| <I/σ(I)> | 8.3 | 1.15 |
| Completeness [%] | 96.7 | 91.2 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 |
