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 |
