1NYX
Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-07-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.546, 62.090, 117.741 |
| Unit cell angles | 90.00, 102.91, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.900* |
| R-factor | 0.24 |
| Rwork | 0.237 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 20.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.078 * | 0.387 * |
| Total number of observations | 104182 * | |
| Number of reflections | 16615 | |
| Completeness [%] | 87.8 | 45 |
| Redundancy | 6.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 | 293 | Citrate, Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 20 (mM) | pH8.0 |
| 2 | 1 | drop | EDTA | 0.5 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | protein | 15 (mg/ml) | |
| 5 | 1 | reservoir | Tris | 0.1 (M) | pH7.0 |
| 6 | 1 | reservoir | PEG5000 MME | 30 (%) | |
| 7 | 1 | reservoir | ammonium sulfate | 0.5 (M) |
