3KFC
Complex Structure of LXR with an agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.993, 99.286, 174.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.23986 |
| Rwork | 0.238 |
| R-free | 0.28384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.144 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.370 | 2.462 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.488 |
| Number of reflections | 36586 | |
| <I/σ(I)> | 11.2 | 1.8 |
| Completeness [%] | 93.8 | 100 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 292 | 0.1 M Hepes, 15% PEG4K, 5.33% iso-propanol, 6.4% glycerol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
