6GIC
Crystal structure of glutathione transferase Omega 2S from Trametes versicolor in complex with oxyresveratrol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97955 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.612, 93.903, 95.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.900 - 2.304 |
| R-factor | 0.1955 |
| Rwork | 0.193 |
| R-free | 0.25240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f43 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.107 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.140 | 0.760 |
| Number of reflections | 24016 | 3819 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10.7% PEG4000, 0.1 M pH 7.0 HEPES-MES buffer (in the ratio 4:6, respectively), 0.05 M sodium acetate and 0.05 M magnesium chloride |
