1TZ8
The monoclinic crystal structure of transthyretin in complex with diethylstilbestrol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.931 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 74.271, 96.961, 81.717 |
Unit cell angles | 90.00, 107.94, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f86 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.326 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.370 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.064 | 0.267 |
Number of reflections | 46580 | |
<I/σ(I)> | 9.8 | 2.5 |
Completeness [%] | 99.4 | 98.8 |
Redundancy | 3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 287 | Sodium Acetate (0.2M), Ammonium Sulfate (2.4M), glycerol (7%), pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 287K |