4MPF
Crystal structure of human glutathione transferase theta-2, complex with inorganic phosphate, GSH free, 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 | 2013-08-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.934, 92.934, 119.022 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.23525 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ljr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.168 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 35310 | |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | Protein in 10 mm HEPES, ph 7.5, 150 mm sodium chloride, 5% glycerol, reservoir: 1.1M ammonium tartrate dibasic, 0.1m sodium acetate:HCl, pH 4.6, cryoprotectant: 20% glycerol, vapor diffusion, sitting drop, temperature 298K |
