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 |