2IIY
Crystal structure of S-nitroso thioredoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-04-23 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 66.860, 26.240, 51.300 |
Unit cell angles | 90.00, 95.02, 90.00 |
Refinement procedure
Resolution | 23.000 - 1.700 |
R-factor | 0.21024 |
Rwork | 0.209 |
R-free | 0.23908 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ert |
RMSD bond length | 0.019 |
RMSD bond angle | 2.011 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.300 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.190 |
Number of reflections | 9820 | |
<I/σ(I)> | 20.8 | 4.2 |
Completeness [%] | 98.0 | 94 |
Redundancy | 3.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 32% PEG 1500, 50 mM sodium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |