6ATO
Crystal structure of hGSTA1-1 complexed with GSH and MPD in each subunit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.675, 90.960, 50.751 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 28.976 - 1.550 |
| R-factor | 0.1701 |
| Rwork | 0.170 |
| R-free | 0.20790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1guh |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.829 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.086 | 0.086 |
| Number of reflections | 63121 | |
| <I/σ(I)> | 14.22 | 2.15 |
| Completeness [%] | 97.5 | 92.1 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 200 MME, 25% (w/v), 0.1 M Tris HCl, pH 8.5 |
