3F6D
Crystal Structure of a Genetically Modified Delta Class GST (adGSTD4-4) from Anopheles dirus, F123A, 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 315 |
Wavelength(s) | 1 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 49.692, 49.692, 272.943 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.900 - 1.700 |
R-factor | 0.1745 |
Rwork | 0.173 |
R-free | 0.20242 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f63 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.161 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 43657 | |
Completeness [%] | 97.6 | 88.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | 30% (w/v) PEG 4000, 0.1M Sodium Cacodylate pH 6.6, 0.15M Sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |