4L8E
Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
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 | 2013-06-14 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.331, 65.331, 213.919 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.045 - 1.700 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.17590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gx0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.381 |
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] | 213.919 | 28.045 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.117 | 0.010 | 0.010 |
Total number of observations | 19211 | 92428 | |
Number of reflections | 29857 | ||
<I/σ(I)> | 18.2 | 13.6 | 0.8 |
Completeness [%] | 97.6 | 94.4 | 96.7 |
Redundancy | 21.4 | 18.1 | 21.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 7 | 298 | Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 5 mM GSH); Reservoir (0.1 M Sodium Acetate, 0.1 M MES pH 6.5, 30 %(w/v) PEG 400); Cryoprotection (reservoir), sitting drop vapor diffusion, temperature 298K |