2GH5
Crystal Structure of human Glutathione Reductase complexed with a Fluoro-Analogue of the Menadione Derivative M5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93927 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.700, 63.600, 103.990 |
| Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
| Resolution | 19.740 - 1.700 |
| R-factor | 0.2241 |
| Rwork | 0.224 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gra |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.360 |
| Number of reflections | 118141 | |
| <I/σ(I)> | 17 | 4.4 |
| Completeness [%] | 98.8 | 98.2 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM potassium phosphate, pH 8.0 and 16% NH4SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
