3HJO
Crystal Structure of Glutathione Transferase Pi Y108V Mutant in Complex with the Glutathione Conjugate of Ethacrynic Acid
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 | 2008-08-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.384, 89.375, 69.190 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 37.530 - 1.950 |
| R-factor | 0.16 |
| Rwork | 0.150 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.356 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.540 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.380 |
| Total number of observations | 7177 | |
| Number of reflections | 29135 | |
| <I/σ(I)> | 8.56 | 1.9 |
| Completeness [%] | 87.2 | 42.2 |
| Redundancy | 5.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 133mM Calcium Acetate, 18% PEG8000, 100mM MES, pH5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
