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) |