6HT6
Crystal structure of glutathione transferase Omega 2S from Trametes versicolor in complex with 2,4-dihydroxybenzophenone
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) | 0.97951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.999, 93.128, 95.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.774 - 2.671 |
| R-factor | 0.224 |
| Rwork | 0.221 |
| R-free | 0.28410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gib |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.307 |
| 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] | 47.774 | 2.800 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.137 | 0.619 |
| Rmeas | 0.148 | 0.666 |
| Rpim | 0.055 | 0.245 |
| Number of reflections | 15526 | |
| <I/σ(I)> | 11.9 | 3.2 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 7.2 |
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 |
