1PN9
Crystal structure of an insect delta-class glutathione S-transferase from a DDT-resistant strain of the malaria vector Anopheles gambiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2000-09-20 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.200, 89.400, 100.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| Rwork | 0.209 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | dmGST21 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 20.600 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.195 |
| Total number of observations | 118522 * | |
| Number of reflections | 26280 | |
| <I/σ(I)> | 17.4 | 7.4 |
| Completeness [%] | 84.3 | 87.3 * |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG4000, 2-propanol, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG4000 | 30 (%) | |
| 3 | 1 | reservoir | 2-propanol | 10 (%) |
