4JED
Crystal structure of glutathione s-transferase mrad2831_1084 (target efi-507060) from methylobacterium radiotolerans jcm 2831, complex with glutathione sulfonate
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 | 2012-02-06 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.664, 54.217, 55.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.830 - 1.100 |
| R-factor | 0.11481 |
| Rwork | 0.114 |
| R-free | 0.13072 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.568 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.714 | |
| Number of reflections | 77540 | |
| <I/σ(I)> | 12.4 | 2 |
| Completeness [%] | 90.6 | 39.8 |
| Redundancy | 8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 1M LITHIUM CHLORIDE, 0.1M SODIUM ACETATE, 30% PEG6000, 5mM GSH , pH 7.5, VAPOR DIFFUSION, SITTING DROP |
