3R3E
The glutathione bound structure of YqjG, a glutathione transferase homolog from Escherichia coli K-12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 147.201, 147.201, 108.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.490 - 2.205 |
| R-factor | 0.18235 |
| Rwork | 0.181 |
| R-free | 0.21075 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.836 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Number of reflections | 71103 | |
| <I/σ(I)> | 18.5 | 2.1 |
| Completeness [%] | 99.4 | 92.2 |
| Redundancy | 5.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.8 M Ammonium sulfate, 50 mM MES, pH 6.5, 5% v/v 1,4-dioxane, 5 mM Glutathione, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
