6SSW
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with an Inhibitor Glutathione sulfonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-14 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8729 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.420, 148.870, 70.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.260 - 3.000 |
| R-factor | 0.2452 |
| Rwork | 0.243 |
| R-free | 0.28340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ssr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.544 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.260 | 3.100 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Number of reflections | 11946 | 11946 |
| <I/σ(I)> | 9.36 | 1.11 |
| Completeness [%] | 99.7 | 99.23 |
| Redundancy | 9.1 | 9.6 |
| CC(1/2) | 0.998 | 0.678 |
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 malonate 20% PEG 400 |
