6MHC
Glutathione S-Transferase Omega 1 bound to covalent inhibitor 37
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.735, 70.780, 60.553 |
| Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
| Resolution | 43.570 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yqu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 31596 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 100 mM MES pH 6.5, 30% PEG-3350, 3% (+/-)-2-methyl-2,4-pentanediol |
