6F68
Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone
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 | 2017-03-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.680, 104.790, 108.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.164 - 1.696 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f43 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.221 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 1.740 |
| High resolution limit [Å] | 1.696 | 1.700 |
| Rmerge | 0.050 | 0.413 |
| Number of reflections | 64275 | 4473 |
| <I/σ(I)> | 19.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 278 | 30 % PEG 400 0.2 M calcium acetate 0.1 M acetate buffer, pH 4.5 |
