4I97
The crystal structure of glutathione S-transferase SnigGSTD1A from Scaptomyza nigrita in complex with glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.290, 63.290, 221.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.470 - 2.150 |
R-factor | 0.222 |
Rwork | 0.219 |
R-free | 0.27320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ein |
RMSD bond length | 0.018 |
RMSD bond angle | 1.816 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.470 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.110 | 0.440 |
Number of reflections | 25312 | |
<I/σ(I)> | 11.6 | 4.3 |
Completeness [%] | 99.2 | 98.8 |
Redundancy | 13.6 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M sodium acetate, 0.1 M Tris-HCl, 27% PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |