3C1S
Crystal structure of GRX1 in glutathionylated form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 32.195, 77.571, 100.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 2.500 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c1r |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.740 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.092 | 0.179 |
| Number of reflections | 4547 | |
| <I/σ(I)> | 4.3 | 2.9 |
| Completeness [%] | 97.9 | 99.8 |
| Redundancy | 2.79 | 2.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 289 | 20% PEG 4000, 0.1M SODIUM ACETATE, 0.2M AMMONIUM DIHYDROGEN PHOSPHATE, pH 5.30, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
