1TT6
The orthorhombic 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 | P 21 21 2 |
Unit cell lengths | 42.306, 85.375, 63.429 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f86 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.278 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.062 | 0.350 |
Number of reflections | 21979 | |
<I/σ(I)> | 9.3 | 2.1 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 4.6 | 4.2 |
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 |