6TAH
Crystal structure of a Nu-class Glutathione-S-Transferase from Pseudomonas aeruginosa PACS2 bound to glutathione
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.500, 96.610, 100.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.300 |
R-factor | 0.1209 |
Rwork | 0.120 |
R-free | 0.14000 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.104 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rpim | 0.040 | 0.295 |
Number of reflections | 201902 | 9969 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.997 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 0.1 M BisTris, 0.1 M sodium potassium tartrate, 18 % PEG 3350 |