3GSS
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-07 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.657, 89.347, 68.596 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gss |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.932 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.088 | 0.271 |
| Total number of observations | 61022 * | |
| Number of reflections | 33121 | |
| <I/σ(I)> | 8.7 | 2.6 |
| Completeness [%] | 90.7 | 87.3 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.2 | 22 * | pH 5.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 10 | 1 | reservoir | MES | 0.1 (M) | |
| 2 | 1 | drop | phosphate | 5 (M) | |
| 3 | 1 | drop | EDTA | 0.5 (mM) | |
| 4 | 1 | drop | mercaptoethanol | 1 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 11.5-13.5 (%(w/v)) | |
| 6 | 1 | drop | DTT | 27.5-32.5 (mM) | |
| 7 | 1 | drop | MES | 0.05 (M) | |
| 8 | 1 | reservoir | ammonium sulfate | 23-27 (%(w/v)) | |
| 9 | 1 | reservoir | DTT | 55-65 (mM) |
