4KH7
Crystal structure of a glutathione transferase family member from salmonella enterica ty2, target efi-507262, with bound glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-17 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.078, 72.692, 82.896 |
Unit cell angles | 90.00, 96.15, 90.00 |
Refinement procedure
Resolution | 36.346 - 1.500 |
R-factor | 0.1714 |
Rwork | 0.171 |
R-free | 0.18730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4iel |
RMSD bond length | 0.010 |
RMSD bond angle | 1.248 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.418 | 72.692 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.054 | 0.020 | 0.650 |
Total number of observations | 10874 | 53532 | |
Number of reflections | 99706 | ||
<I/σ(I)> | 14.2 | 31.7 | 1.2 |
Completeness [%] | 99.5 | 94.5 | 100 |
Redundancy | 3.7 | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 5 mM GSH), Reservoir (0.1 M Bis-Tris Propane pH 7, 1.2 M Potassium Sodium Tartrate Tetrahydrate), Cryoprotection (reservoir + 20% glycerol), vapor diffusion, sitting drop, temperature 298K |