8AX2
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with glutathione and pentachloro-nitrosyl-osmate
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 | 2018-05-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.14356 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.615, 104.548, 108.092 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.574 - 1.620 |
| R-factor | 0.1858 |
| Rwork | 0.185 |
| R-free | 0.20820 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.808 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.620 | 1.710 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.056 | |
| Rmeas | 0.060 | |
| Number of reflections | 140484 | 10527 |
| <I/σ(I)> | 26.9 | |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 13.4 | 13.3 |
| CC(1/2) | 1.000 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | 30 % PEG 400, 0.2 M Calcium Acetate, 0.1 M Acetate Buffer, pH 4.5 |
