1K4Q
Human Glutathione Reductase Inactivated by Peroxynitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-07-20 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.750, 63.650, 84.710 |
| Unit cell angles | 90.00, 58.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.166 * |
| Rwork | 0.166 |
| R-free | 0.20400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | R-AXIS |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.353 * |
| Number of reflections | 41212 | |
| <I/σ(I)> | 10.6 | 2.2 |
| Completeness [%] | 96.1 | 94.4 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 30 * | Ammonium Sulfate, Potassium Phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 120 (mM) | |
| 3 | 1 | drop | potassium phosphate | 100 (mM) | pH7.5 |
| 4 | 1 | reservoir | ammonium sulfate | 720 (mM) | |
| 5 | 1 | reservoir | potassium phosphate | 100 (mM) | pH8.0 |
