3DJJ
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 | 119.672, 62.358, 84.161 |
| Unit cell angles | 90.00, 122.29, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.100 |
| R-factor | 0.113 |
| R-free | 0.14700 |
| RMSD bond length | 0.104 |
| RMSD bond angle | 0.111 |
| 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 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.071 | 0.221 |
| Number of reflections | 233920 | |
| <I/σ(I)> | 37.9 | |
| Completeness [%] | 84.0 | 55.8 |
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 |
