4G0K
Glutathionyl-hydroquinone reductase, YqjG, of E.coli complexed with GS-menadione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 148.410, 148.410, 105.171 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.670 - 2.557 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.420 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.670 | 2.530 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 39684 | |
Completeness [%] | 59.2 | 53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1M MES monohydrate, 1.6M ammonium sulfate,10% 1,4-dioxane , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |