8GSS
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 | 1996-07-30 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.891, 85.716, 81.733 |
| Unit cell angles | 90.00, 110.63, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 21.400 * |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 * | 0.268 * |
| Total number of observations | 207221 * | |
| Number of reflections | 58084 | |
| <I/σ(I)> | 10.2 | 3.1 |
| Completeness [%] | 93.0 | 97 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 * | pH 5.4 |
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) |
