4MAS
High Resolution Structure of Wild Type Human Transthyretin in Complex with 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'diol
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 | 2013-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.049, 85.020, 64.893 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.873 - 1.220 |
R-factor | 0.15168 |
Rwork | 0.151 |
R-free | 0.17339 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fbr |
RMSD bond length | 0.015 |
RMSD bond angle | 1.649 |
Data reduction software | autoXDS |
Data scaling software | autoXDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.873 | 1.290 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 70897 | |
<I/σ(I)> | 27.6 | 3.5 |
Completeness [%] | 99.5 | 98.2 |
Redundancy | 6.3 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 4 mg/ML wt-TTR in 10 mM sodium phosphate, 100 mM potassium chloride, pH 7.6, co-crystallized with inhibitor, crystallization solution: 1.395 M sodium citrate, 3.5% v/v glycerol, pH 5.5, cryoprotectant: 1.395 M sodium citrate, pH 5.5, 10% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |