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 |