6TUM
Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2 complexed with tartrate
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 | CCD |
Collection date | 2012-05-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.240, 96.728, 50.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.620 - 1.480 |
R-factor | 0.1617 |
Rwork | 0.160 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eci |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.620 | 1.533 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.077 | 1.490 |
Rmeas | 0.088 | 1.720 |
Rpim | 0.043 | 0.860 |
Number of reflections | 72280 | 7043 |
<I/σ(I)> | 13.86 | 0.99 |
Completeness [%] | 99.5 | 98.15 |
Redundancy | 4.1 | 3.9 |
CC(1/2) | 0.999 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M BisTris pH 6.5, 0.1 M sodium potassium tartrate, 22 % PEG 3350 |