4NHW
Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275, with one glutathione bound per one protein subunit
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 | 2013-10-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 |
Unit cell lengths | 48.306, 62.504, 84.426 |
Unit cell angles | 87.34, 79.73, 82.04 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.17437 |
Rwork | 0.173 |
R-free | 0.22553 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lsz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.149 |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.600 | |
Number of reflections | 62866 | |
<I/σ(I)> | 10.6 | 1.1 |
Completeness [%] | 96.1 | 83.6 |
Redundancy | 2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | Protein in 10 mM HEPES, pH 7.5, 150 mM sodium chloride, 5% glycerol, reservoir: 25% PEG3350, 0.1M bis-tris pH 6.5, 0.2M ammonium acetate, 5 mM GSH, cryoprotectant: none, vapor diffusion, sitting drop, temperature 298K |