1HY3
CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE V269E MUTANT IN THE PRESENCE OF PAPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.925, 97.263, 62.733 |
| Unit cell angles | 90.00, 91.93, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.820* |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN EST |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.400 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 | 0.229 |
| Total number of observations | 182966 * | |
| Number of reflections | 63064 * | |
| <I/σ(I)> | 19.6 | 2.22 |
| Completeness [%] | 91.8 | 52.1 |
| Redundancy | 2.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.2 * | 20 * | MES, PEG 8K, PAP, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | 0.5 (mM) | ||
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | PAP | 4 (mM) | pH7.2 |
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 6 | 1 | reservoir | PEG8000 | 18 (%) |
