3HKR
Crystal Structure of Glutathione Transferase Pi Y108V Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.96 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.100, 90.300, 68.900 |
| Unit cell angles | 90.00, 98.20, 90.00 |
Refinement procedure
| Resolution | 42.110 - 1.800 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.060 | 0.300 |
| Number of reflections | 47590 | 6993 |
| <I/σ(I)> | 22.37 | 4.9 |
| Completeness [%] | 98.3 | 89.8 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 267mM Calcium Acetate, 20% PEG8000, 100mM MES, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
