3CSI
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.800, 89.160, 74.500 |
| Unit cell angles | 90.00, 96.99, 90.00 |
Refinement procedure
| Resolution | 25.980 - 1.900 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.22200 |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.508 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.930 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.638 |
| Number of reflections | 68745 | |
| <I/σ(I)> | 6.6 | 2 |
| Completeness [%] | 97.9 | 96 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | Resevior solution contained: 100mM MES, 22% PEG 8000, 20mM CaCl2, 10mM DTT and 10mM GSH. Soaking conditions as above, minus DTT, plus 2mM Chlorambucil dissolved in ethanol., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
