2B77
Human transthyretin (TTR) complexed with Diflunisal analogues- TTR.2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-07 |
Detector | CCD-PXL-L600 |
Wavelength(s) | 1.541 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.215, 85.082, 64.401 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.300 - 1.700 |
R-factor | 0.20985 |
Rwork | 0.208 |
R-free | 0.23845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bmz |
RMSD bond length | 0.022 |
RMSD bond angle | 2.361 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 51.300 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.070 |
Number of reflections | 25485 |
<I/σ(I)> | 16.94 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1 mM EDTA, 10 mM sodium phosphate, 0.35-0.50 M ammonium sulfate - crystals were soaked with the inhibitor, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |