6SSU
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with co-substrate Glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.280, 152.370, 71.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.280 - 2.499 |
| R-factor | 0.2238 |
| Rwork | 0.221 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ssr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.273 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1683) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.280 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 21514 | 2106 |
| <I/σ(I)> | 11.12 | 1.45 |
| Completeness [%] | 99.8 | 99.25 |
| Redundancy | 7.5 | 7.7 |
| CC(1/2) | 0.999 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.5 | 298 | 0.1M MES pH 5.5 0.4M Lithium citrate 0.1M Sodium nitrate 20% PEG 400 |
