1N2A
Crystal Structure of a Bacterial Glutathione Transferase from Escherichia coli with Glutathione Sulfonate in the Active Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-09-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.616, 57.166, 134.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 * - 1.900 |
| R-factor | 0.20089 |
| Rwork | 0.195 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aof |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.860 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | |
| High resolution limit [Å] | 1.900 | 1.900 * |
| Rmerge | 0.041 * | 0.220 * |
| Number of reflections | 23318 | |
| Completeness [%] | 86.8 * | 41.6 * |
| Redundancy | 11 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 20 * | PEG 3000, B-n-octyl-glucopyranoside, glutathione sulfonate, sodium acetate, pH 4.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-20 (mg/ml) | |
| 2 | 1 | drop | glutathione sulfonate | 3-5 (mM) | |
| 3 | 1 | drop | beta-n-octylglucopyranoside | 0.3 (%) | |
| 4 | 1 | drop | PEG3000 | 7 (%) | |
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | PEG3000 | 14-18 (%) | pH4.7 |
