3IMU
Transthyretin in complex with (E)-4-(3-aminostyryl)-2,6-dibromoaniline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.702, 85.278, 64.203 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.400 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qgb |
RMSD bond length | 0.018 |
RMSD bond angle | 1.638 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.130 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 46374 | |
<I/σ(I)> | 45.5 | 2.2 |
Completeness [%] | 98.2 | 93.6 |
Redundancy | 4.8 | 4.2 |
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 298K |