1SOQ
Crystal structure of the transthyretin mutant A108Y/L110E solved in space group C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAC Science DIP-2030 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.287, 67.524, 80.978 |
Unit cell angles | 90.00, 112.59, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sok |
RMSD bond length | 0.010 |
RMSD bond angle | 1.251 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.077 | 0.407 |
Number of reflections | 29735 | |
<I/σ(I)> | 13.8 | 2.7 |
Completeness [%] | 95.4 | 92.7 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 291 | Tris, PEG550MME, ammonium sulfate, sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.00 |