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 |
