3QAG
Human Glutathione Transferase O2 with glutathione -new crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954448 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 53.138, 53.138, 352.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 2.000 |
| R-factor | 0.22604 |
| Rwork | 0.224 |
| R-free | 0.26505 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q18 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.180 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.346 |
| Number of reflections | 19843 | |
| <I/σ(I)> | 21.9 | 4.6 |
| Completeness [%] | 98.6 | 99.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M Hepes pH7.5, 2% v/v Polyethylene glycol 400, 2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
