1OSV
STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.970, 108.518, 69.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.300 * - 2.500 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.28100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.300 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.044 * | 0.282 * |
| Total number of observations | 99829 * | |
| Number of reflections | 24427 * | |
| <I/σ(I)> | 19.61 | 3.04 |
| Completeness [%] | 92.8 * | 77.2 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 283 | PEG 8000,Ethylene Glycol, PIPES , pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 400 (mM) | ||
| 2 | 1 | drop | imidazole | 10 (mM) | |
| 3 | 1 | drop | glycerol | 10 (%) | |
| 4 | 1 | drop | Tris | 20 (mM) | pH8.0 |
| 5 | 1 | drop | protein | 4-5 (mg/ml) | |
| 6 | 1 | reservoir | ethylene gylcol | ||
| 7 | 1 | reservoir | PIPES | 0.1 (M) | pH6.4 |
