18GS
GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-27 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.502, 89.635, 68.907 |
| Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 0.169 |
| Number of reflections | 35929 | |
| <I/σ(I)> | 19.11 | 5.19 |
| Completeness [%] | 95.1 | 91.5 |
| Redundancy | 2.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.4 | pH 5.4 |
