6SR9
Crystal structure of glutathione transferase Omega 2C 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 | 2018-05-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97992 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.516, 142.624, 65.431 |
| Unit cell angles | 90.00, 116.44, 90.00 |
Refinement procedure
| Resolution | 37.579 - 1.845 |
| R-factor | 0.2049 |
| Rwork | 0.203 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sr8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.270 | 45.270 | 1.880 |
| High resolution limit [Å] | 1.845 | 9.040 | 1.845 |
| Rmerge | 0.071 | 0.052 | 0.539 |
| Rmeas | 0.078 | 0.059 | 0.602 |
| Rpim | 0.033 | 0.026 | 0.264 |
| Total number of observations | 1834 | 13396 | |
| Number of reflections | 47917 | 384 | 2817 |
| <I/σ(I)> | 11.8 | 25.9 | 2.3 |
| Completeness [%] | 99.4 | 90.6 | 95.4 |
| Redundancy | 4.9 | 4.8 | 4.8 |
| CC(1/2) | 0.997 | 0.984 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | 20% (w/v) polyethylene glycol 4000, 10% (v/v) 2-Propanol and 0.1 M pH 7.5 HEPES |
