6SSS
Crystal structure of Human Microsomal Glutathione S-Transferase 2
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 | 2015-12-07 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | P 1 |
Unit cell lengths | 54.886, 72.162, 72.692 |
Unit cell angles | 67.93, 86.71, 86.86 |
Refinement procedure
Resolution | 43.329 - 2.498 |
R-factor | 0.2209 |
Rwork | 0.218 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ssr |
RMSD bond length | 0.005 |
RMSD bond angle | 0.880 |
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] | 43.329 | 2.580 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 35150 | 35150 |
<I/σ(I)> | 5.31 | 0.99 |
Completeness [%] | 98.3 | |
Redundancy | 3.5 | |
CC(1/2) | 0.989 | 0.433 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 4.5 | 298 | 0.1M Sodium acetate pH 4.5 0.4M Sodium sulfate 0.1M Potassium thiocyanate 17% PEG 400 |