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 |