1N83
Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-08-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8727 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.800, 49.700, 60.500 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.630 |
| R-factor | 0.2018 |
| Rwork | 0.201 |
| R-free | 0.23000 * |
| Structure solution method | SIRAS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.040 * | |
| Total number of observations | 141730 * | |
| Number of reflections | 38783 | |
| <I/σ(I)> | 32 | 2.1 |
| Completeness [%] | 95.4 | 67.3 |
| Redundancy | 3.65 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 * | 20 * | PEG 4000, sodium acetate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.4 |
| 2 | 1 | reservoir | PEG6000 | 19 (%) | |
| 3 | 1 | reservoir | 0.2 (M) |
