4KY2
Transthyretin in complex with the fluorescent folding sensor (E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2012-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.793, 85.646, 63.562 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.280 - 1.130 |
R-factor | 0.1616 |
Rwork | 0.161 |
R-free | 0.17430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fbr |
RMSD bond length | 0.015 |
RMSD bond angle | 1.705 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.280 | 1.190 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 87639 | |
<I/σ(I)> | 34.3 | |
Completeness [%] | 98.5 | 90.7 |
Redundancy | 6.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | The WT-TTR was concentrated to 4 mg/mL in 10 mM NaPi, 100 mM KCl, at pH 7.6 and co-crystallized at room temperature using the vapor diffusion sitting drop method. Crystals were grown from 1.395 M sodium citrate, 3.5% v/v glycerol at pH 5.5. The crystals were frozen using a cryo-protectant solution of 1.395 M sodium citrate, pH 5.5, containing 10% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |