3CSH
Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
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 | 2005-11-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.346, 89.358, 68.946 |
| Unit cell angles | 90.00, 98.03, 90.00 |
Refinement procedure
| Resolution | 18.690 - 1.550 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20000 |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.068 | 0.240 |
| Number of reflections | 66513 | |
| <I/σ(I)> | 16.3 | 5.7 |
| Completeness [%] | 98.6 | 92.7 |
| Redundancy | 7.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | Solid chlorambucil was added to preformed GST crystals cocrystallised with glutathione , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
