4IKH
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound
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 61 2 2 |
Unit cell lengths | 88.189, 88.189, 159.834 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.608 - 2.100 |
R-factor | 0.2085 |
Rwork | 0.207 |
R-free | 0.23400 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.996 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.917 | 39.959 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.122 | 0.039 | 0.760 |
Total number of observations | 9894 | 48749 | |
Number of reflections | 22195 | ||
<I/σ(I)> | 13.3 | 15.7 | 1 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 15.2 | 12.2 | 15.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Protein (10 mM Hepes pH 7.5, 100 mM NaCl + 5 mM Reduced glutathione), Reservoir (35 % v/v pentaerythritol ethoxylate (15/4 EO/OH) 0.2 M CaCl2, 0.1 M HEPES-NaOH pH 6.5), Cryoprotection (harvested straight from drop), VAPOR DIFFUSION, SITTING DROP, temperature 298K |