5JCU
Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate
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 | 2014-11-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.335, 92.666, 104.051 |
| Unit cell angles | 90.00, 92.18, 90.00 |
Refinement procedure
| Resolution | 29.799 - 1.930 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.24000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1guh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.083 | 0.866 |
| Number of reflections | 71288 | |
| <I/σ(I)> | 18.04 | 1.64 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 4.9 | 4.9 |
| CC(1/2) | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | PEG 3350 20% (w/v), Sodium acetate 0.2 M |
