1G3M
CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE IN COMPLEX WITH IN-ACTIVE COFACTOR PAP AND 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.687, 96.894, 61.724 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.700 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN EST |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.058 * | 0.262 * |
| Total number of observations | 151066 * | |
| Number of reflections | 75359 * | |
| <I/σ(I)> | 8.39 | 1.94 |
| Completeness [%] | 92.6 | 82.9 |
| Redundancy | 2 | 1.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 20 * | 0.1M MES 22% PEG8000 , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | monosodium phosphate | 0.5 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | PAP | 4 (mM) | pH7.5 |
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 6 | 1 | reservoir | PEG8000 | 18 (%) |
