1GTI
MODIFIED GLUTATHIONE S-TRANSFERASE (PI) COMPLEXED WITH S (P-NITROBENZYL)GLUTATHIONE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-07 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.450, 132.690, 214.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.000 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1glq |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 21.630 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 3.200 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.130 * | 0.200 |
| Number of reflections | 28900 * | |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 79.4 * | 73.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.4 | pH 6.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5 (mg/ml) | |
| 2 | 1 | drop | PEG8000 | 3.3 (%) | |
| 3 | 1 | drop | MOPS | 0.017 (M) | |
| 4 | 1 | drop | ammonium sulfate | 0.033 (M) | |
| 5 | 1 | drop | MES | 0.033 (M) | |
| 6 | 1 | reservoir | PEG8000 | 10 (%) | |
| 7 | 1 | reservoir | MOPS | 50 (mM) |
