3DK8
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 | 120.031, 62.281, 83.980 |
Unit cell angles | 90.00, 121.90, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.100 |
R-factor | 0.124 |
R-free | 0.15700 |
Starting model (for MR) | 3dk9 |
RMSD bond length | 0.016 |
RMSD bond angle | 0.033 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.020 |
High resolution limit [Å] | 1.100 | 1.000 |
Rmerge | 0.089 | 0.191 |
Number of reflections | 250008 | |
<I/σ(I)> | 30.3 | |
Completeness [%] | 90.8 | 64.5 |
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 |