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 |
