2A2R
Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione
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 | 2004-03-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.691, 89.572, 68.690 |
| Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.400 |
| Rwork | 0.197 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.004 |
| 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] | 99.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 86132 | |
| <I/σ(I)> | 21.68 | 7.75 |
| Completeness [%] | 93.0 | 74.1 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295.15 | MES, PEG 8000, Calcium Chloride, DTT, GSH, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K |
