4L1S
Covalent modification of transthyretin K15 by yielding the fluorescent conjugate (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2012-08-02 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 41.632, 86.059, 62.802 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.480 - 1.500 |
R-factor | 0.1615 |
Rwork | 0.160 |
R-free | 0.18520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fbr |
RMSD bond length | 0.014 |
RMSD bond angle | 1.592 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.480 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 36103 | |
<I/σ(I)> | 18.6 | 5.9 |
Completeness [%] | 98.5 | 95.7 |
Redundancy | 6.1 | 5.9 |
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 with inhibitors 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 298.0, VAPOR DIFFUSION, SITTING DROP |