6MHD
Glutathione S-Transferase Omega 1 bound to covalent inhibitor 44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1272 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.159, 71.060, 60.443 |
| Unit cell angles | 90.00, 114.73, 90.00 |
Refinement procedure
| Resolution | 43.440 - 2.160 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yqu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 22575 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 91.2 | 93.1 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 100 mM MES pH 6.5, 30% PEG-3350, 4% acetone |
