3F3Q
Crystal structure of the oxidised form of thioredoxin 1 from saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.292, 46.588, 64.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.850 - 1.760 |
R-factor | 0.1999 |
Rwork | 0.198 |
R-free | 0.24547 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fa4 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.551 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.706 | 1.830 |
High resolution limit [Å] | 1.700 | 1.760 |
Rmerge | 0.041 | 0.040 |
Number of reflections | 10873 | |
<I/σ(I)> | 11.9 | 2.7 |
Completeness [%] | 97.4 | 96.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 4% PEG400, 12%PEG8000, 0.1M sodium acetate, 0.2M zinc acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |