1Y1D
Crystal structure of transthyretin in complex with iododiflunisal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-04 |
Detector | MARRESEARCH |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.313, 85.844, 64.865 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID: 1F86 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.280 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.844 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.102 | 0.211 |
Number of reflections | 26934 | |
<I/σ(I)> | 13.6 | 4.5 |
Completeness [%] | 98.6 | 93 |
Redundancy | 3.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 287 | 0.2M sodium citrate, 2.4M ammonium sulfate, 6% glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |