3G7J
Crystal Structure of a Genetically Modified Delta Class GST (adGSTD4-4) from Anopheles dirus, Y119E, in Complex with S-Hexyl Glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 83.988, 83.988, 129.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.640 - 2.200 |
| R-factor | 0.21077 |
| Rwork | 0.208 |
| R-free | 0.25935 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f63 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.922 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 24215 | |
| <I/σ(I)> | 33.903 | 5.416 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 7.8 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | 0.1M Sodium Cacodylate pH 6.6, 30% (w/v) PEG 4000, 0.15M Sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
