4GSS
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-10-06 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.486, 90.339, 68.970 |
| Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.500 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gss |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.912 * |
| 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] | 15.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.111 * | 0.291 * |
| Total number of observations | 79944 * | |
| Number of reflections | 14346 | |
| <I/σ(I)> | 7.73 | 2.7 |
| Completeness [%] | 88.5 | 90 |
| Redundancy | 5.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 22 * | pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5-6 (mg/ml) | |
| 10 | 1 | reservoir | ammonium sulfate | 29 (%(w/v)) | |
| 11 | 1 | reservoir | dithiothreitol | 55 (mM) | |
| 12 | 1 | reservoir | S-hexylglutathione | 7 (mM) | |
| 13 | 1 | reservoir | DMSO | 5 (%) | |
| 14 | 1 | reservoir | MES | 100 (mM) | |
| 2 | 1 | drop | phosphate | 5 (mM) | |
| 3 | 1 | drop | EDTA | 0.5 (mM) | |
| 4 | 1 | drop | mercaptoethanol | 1 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 14.5 (%(w/v)) | |
| 6 | 1 | drop | dithiothreitol | 27.5 (mM) | |
| 7 | 1 | drop | S-hexylglutathione | 3.5 (mM) | |
| 8 | 1 | drop | DMSO | 2.5 (%) | |
| 9 | 1 | drop | MES | 50 (mM) |
