4IJI
Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-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 | 2012-11-08 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.763, 190.002, 83.600 |
Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
Resolution | 36.270 - 1.500 |
R-factor | 0.1708 |
Rwork | 0.169 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4id0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.070 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 95.001 | 95.001 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.077 | 0.048 | 0.575 |
Total number of observations | 63643 | 189399 | |
Number of reflections | 260818 | ||
<I/σ(I)> | 12.7 | 14.3 | 1.4 |
Completeness [%] | 98.2 | 99.1 | 96 |
Redundancy | 6 | 7.5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein (10 mM Hepes pH 7.5, 100 mM NaCl + 5 mM Reduced glutathione); Reservoir (0.02 M Magnesium Chloride 0.1 M HEPES:NaOH pH 7.5 22% (w/v) Polyacrylic Acid 5100); Cryoprotection (20% reservoir, 80% (50% (w/v) Polyacrylic acid); glutathione adduct presumably arising from gluathione attack of free acrylate, benozic acid like molecule of unknown origins, vapor diffusion, sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP |