1M9B
Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 1996-07-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.914 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 116.567, 116.567, 78.748 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.000 - 2.600 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gta |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.400 * |
| 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] | 26.000 * | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.078 * | 0.689 * |
| Total number of observations | 56234 * | |
| Number of reflections | 9743 | |
| <I/σ(I)> | 21.6 | 2.4 |
| Completeness [%] | 96.2 | 89.4 |
| Redundancy | 5.8 | 4.6 |
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) |
