3DK9
Catalytic cycle of human glutathione reductase near 1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-19 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.357, 62.353, 84.035 |
| Unit cell angles | 90.00, 122.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.950 |
| R-factor | 0.123 |
| R-free | 0.15200 |
| Starting model (for MR) | 3grs |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.038 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.960 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.069 | 0.347 |
| Number of reflections | 290866 | |
| <I/σ(I)> | 26.9 | |
| Completeness [%] | 88.0 | 45.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 3% ammonium sulfate, 0.1 M potassium phosphate and 0.1% beta-octyl glucoside, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.00 |
