2HSH
Crystal structure of C73S mutant of human thioredoxin-1 oxidized with H2O2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 66.166, 26.375, 51.100 |
| Unit cell angles | 90.00, 95.47, 90.00 |
Refinement procedure
| Resolution | 22.370 - 1.350 |
| R-factor | 0.12488 |
| Rwork | 0.123 |
| R-free | 0.16843 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.626 |
| 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] | 22.400 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.028 | 0.140 |
| Number of reflections | 16046 | |
| <I/σ(I)> | 30.1 | 3.9 |
| Completeness [%] | 86.2 | 50.6 |
| Redundancy | 3.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 298 | 50% MPD, 10 mM sodium acetate, 8% H2O2, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
