3JZB
Crystal Structure of TR-alfa bound to the selective thyromimetic TRIAC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.020, 80.825, 102.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.177 - 2.007 |
| R-factor | 0.1728 |
| Rwork | 0.171 |
| R-free | 0.19850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h79 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.662 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.4_159)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.980 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.817 |
| Number of reflections | 33965 | |
| <I/σ(I)> | 24 | 2.9 |
| Completeness [%] | 97.8 | 84.9 |
| Redundancy | 11.5 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 1.0M Sodium Cacodylate, 0.1M Sodium acetate threehydrate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
