3C1R
Crystal structure of oxidized GRX1
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 | P 1 21 1 |
| Unit cell lengths | 28.210, 49.631, 39.701 |
| Unit cell angles | 90.00, 94.95, 90.00 |
Refinement procedure
| Resolution | 28.110 - 2.000 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fls |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | AUTOMAR |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.110 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.107 |
| Number of reflections | 7126 | |
| <I/σ(I)> | 9.6 | 5.2 |
| Completeness [%] | 95.3 | 90.9 |
| Redundancy | 4.05 | 4.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 12% PEG 20000, 0.1M MES, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
