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 |