3M0F
Crystal structure of Glutathione S Transferase in complex with glutathione from Pseudomonas fluorescens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.521, 57.866, 74.796 |
Unit cell angles | 90.00, 106.00, 90.00 |
Refinement procedure
Resolution | 45.080 - 1.600 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.22000 |
Structure solution method | SAD |
Starting model (for MR) | None |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | CCP4 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.450 |
Number of reflections | 52483 | |
<I/σ(I)> | 10.1 | 4 |
Completeness [%] | 98.2 | 82.8 |
Redundancy | 12.2 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2M MgCL2, 0.1M Bis-tris, 25% PEG 3350, 6% methanol, 2mM glutathione, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |