3ILZ
Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.914, 80.351, 102.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.470 - 1.850 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsx |
| RMSD bond length | 0.037 |
| RMSD bond angle | 3.078 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.470 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.059 | 0.383 |
| Number of reflections | 47773 | |
| <I/σ(I)> | 7.8 | 2 |
| Completeness [%] | 98.7 | 98.9 |
| Redundancy | 8.2 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.2 | 291 | 1.0M NaCac 0.1M NaH3OAc, pH 7.2, VAPOR DIFFUSION, temperature 291K |
