2F7I
Human transthyretin (TTR) complexed with diflunisal analogues- TTR. 2',6'-Difluorobiphenyl-4-carboxylic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2003-01-05 |
Detector | CCD-PXL-L600 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.236, 85.139, 64.768 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.500 - 1.600 |
R-factor | 0.23415 |
Rwork | 0.233 |
R-free | 0.25191 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bmz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.241 |
Data reduction software | LSCALE |
Data scaling software | SAINT |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.900 | 1.670 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 30717 | |
Completeness [%] | 99.7 | 99.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | AMMONIUM SULFATE, 100 MM KCL, 1 MM EDTA, 10 MM SODIUM PHOSPHATE, SOAKED WITH THE INHIBITOR, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |