2A2S
Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.640, 89.640, 68.850 |
Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.700 |
Rwork | 0.178 |
R-free | 0.20800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5gss |
RMSD bond length | 0.005 |
RMSD bond angle | 1.090 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 48648 | |
<I/σ(I)> | 20.3 | 3.4 |
Completeness [%] | 94.9 | 69.2 |
Redundancy | 5.76 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295.15 | MES, PEG 8000, Calcium chloride, GSNO, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K |