1N46
CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.918, 105.315, 55.988 |
| Unit cell angles | 90.00, 98.19, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.19528 |
| Rwork | 0.192 |
| R-free | 0.25621 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.178 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 22969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | pH 6.0, temperature 100K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
| 2 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH6.0 |
