1A0F
CRYSTAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE FROM ESCHERICHIA COLI COMPLEXED WITH GLUTATHIONESULFONIC ACID
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.650, 95.390, 51.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.100 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.24500 |
| Structure solution method | MIR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.638 |
| 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] | 100.000 | 2.030 |
| High resolution limit [Å] | 2.100 * | 2.000 |
| Rmerge | 0.092 | 0.244 |
| Total number of observations | 220316 * | |
| Number of reflections | 25970 * | |
| <I/σ(I)> | 15.9 | 3.8 |
| Completeness [%] | 92.0 * | 78.1 |
| Redundancy | 8.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.6 | 20 * | pH 4.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | glutathione sulfonate | 5 (mM) | |
| 3 | 1 | drop | n-octyl-beta-D-thioglucopyranoside | 0.15 (%(w/v)) | |
| 4 | 1 | drop | 2-mercaptoethanol | 2 (mM) | |
| 5 | 1 | drop | PEG6000 | 6 (%(w/v)) | |
| 6 | 1 | drop | sodium acetate | 50 (mM) | |
| 7 | 1 | reservoir | PEG6000 | 13 (%(w/v)) |
