6ATR
Crystal structure of hGSTA1-1 complexed with two GSH analogues 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 | 2012-08-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.163, 94.487, 51.782 |
| Unit cell angles | 90.00, 92.65, 90.00 |
Refinement procedure
| Resolution | 22.899 - 1.290 |
| R-factor | 0.1684 |
| Rwork | 0.168 |
| R-free | 0.18230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1guh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.023 |
| 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 | 1.340 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.062 | 0.733 |
| Number of reflections | 113271 | 7770 |
| <I/σ(I)> | 16.52 | |
| Completeness [%] | 93.9 | 64.8 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 2000 MME, 25% (w/v), 0.1 M MES, pH 6.5 |
