1M9A
Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-12-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 114.993, 114.993, 78.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.900 * - 2.100 |
| Rwork | 0.200 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gta |
| RMSD bond length | 0.007 |
| RMSD bond angle | 20.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 * | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.062 * | 0.296 * |
| Total number of observations | 80211 * | |
| Number of reflections | 17330 | |
| <I/σ(I)> | 24 | 3.5 |
| Completeness [%] | 94.4 | 63.4 |
| Redundancy | 4.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | ammonium sulfate,ethanol, dithiothrietol, threalose, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 48-50 (%sat) | |
| 2 | 1 | reservoir | ethanol | 2 (%(v/v)) | |
| 3 | 1 | reservoir | sodium acetate | 225 (mM) | pH5.6 |
| 4 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 5 | 1 | reservoir | threalose | 10 (mM) |
