6TI9
Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.919491 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.130, 85.810, 63.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.584 - 1.450 |
R-factor | 0.1561 |
Rwork | 0.155 |
R-free | 0.18240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e23 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.460 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 42796 | 60556 |
<I/σ(I)> | 1.96 | |
Completeness [%] | 99.9 | |
Redundancy | 8.1 | |
CC(1/2) | 1.000 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Protein: 4.93 mg/mL, Tris pH 8.0, 150mM NaCl. Precipitant: 24% PEG 600, 0.2M imidazole malate pH 5.5. |