4NHZ
Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290, with one glutathione bound
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 | 2013-09-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 96.998, 99.359, 108.734 |
| Unit cell angles | 89.98, 89.97, 89.99 |
Refinement procedure
| Resolution | 50.000 - 1.901 |
| R-factor | 0.18658 |
| Rwork | 0.186 |
| R-free | 0.22542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mf7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.381 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.350 | |
| Number of reflections | 309970 | |
| <I/σ(I)> | 8.8 | 2.5 |
| Completeness [%] | 97.2 | 95.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | Protein in 10 mM HEPES, pH 7.5, 150 mM sodium chloride, 5% glycerol, reservoir: 25% PEG4000, 0.1M TRIS-HCl pH 8.5, 0.2M calcium acetate, 5 mM GSH, cryoprotectant: 20% glycerol, vapor diffusion, sitting drop, temperature 298K |
