3NIV
The crystal structure of Glutathione S-transferase from Legionella pneumophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.484, 55.043, 84.723 |
| Unit cell angles | 71.99, 84.33, 68.79 |
Refinement procedure
| Resolution | 80.564 - 2.300 |
| R-factor | 0.1994 |
| Rwork | 0.197 |
| R-free | 0.24940 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.560 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.096 | 0.592 |
| Number of reflections | 33413 | |
| Completeness [%] | 91.2 | 73.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 M Ammonium Acetate, 0.1 M Bis-Tris pH5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
