4MPG
Crystal structure of human glutathione transferase theta-2, complex with glutathione and unknown ligand, target EFI-507257
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 93.550, 93.550, 119.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.951 |
| R-factor | 0.17149 |
| Rwork | 0.170 |
| R-free | 0.22045 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ljr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.188 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 44270 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 12.1 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | Protein in 10 mM HEPES, pH 7.5, 150 MM sodium chloride, 5% glycerol, reservoir: 2M sodium formate, 0.1M BIS-TRIS propane:HCl, pH 7.0, 5 mM GSH, cryoprotectant: none, vapor diffusion, sitting drop, temperature 298K |
