5GSS
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-10-24 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.336, 89.228, 68.728 |
| Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.950 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gss |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.033 * | 0.109 * |
| Total number of observations | 63592 * | |
| Number of reflections | 29652 | |
| <I/σ(I)> | 19.2 | 6.7 |
| Completeness [%] | 88.0 | 77 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 22 * | pH 5.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | phosphate | 10 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | mercaptoethanol | 2 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 20-34 (%(w/v)) | |
| 6 | 1 | reservoir | dithiothreitol | 50-80 (mM) | |
| 7 | 1 | reservoir | MES | 100 (mM) |
