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 |