3LJR
GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.065, 94.065, 120.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 3.300 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.33500 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.400 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.142 * | |
| Total number of observations | 16845 * | |
| Number of reflections | 8401 | |
| <I/σ(I)> | 6.3 | 2.2 |
| Completeness [%] | 88.8 | 91.6 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 277 or 295 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.76 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 10 (mM) | |
| 3 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 15 (%) | |
| 5 | 1 | reservoir | ethanol | 2 (%) | |
| 6 | 1 | reservoir | HEPES | 100 (mM) |
