1J99
CRYSTAL STRUCTURE OF HUMAN DEHYDROEPIANDROSTERONE SULFOTRANSFERASE IN COMPLEX WITH SUBSTRATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.931, 137.976, 45.864 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.990 |
| R-factor | 0.231 * |
| Rwork | 0.231 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aqu |
| RMSD bond length | 0.023 |
| RMSD bond angle | 22.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.056 | 0.555 * |
| Total number of observations | 116140 * | |
| Number of reflections | 32429 * | |
| <I/σ(I)> | 17.6 | 2.1 |
| Completeness [%] | 93.1 | 93.5 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Tris, cobalt chloride, amonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH7.5 |
| 2 | 1 | reservoir | 1.2 (mM) | ||
| 3 | 1 | reservoir | ammonium sulfate | 170 (mM) | |
| 4 | 1 | drop | DHEA-ST | 12 (mg/ml) | 0.35mM |
| 5 | 1 | drop | DHEA | 0.5 (mM) | |
| 6 | 1 | drop | Tris | 10 (mM) | pH7.5 |
| 7 | 1 | drop | EDTA | 0.5 (mM) | |
| 8 | 1 | drop | n-octyl-beta-D-glucopyranoside | 0.1 (%) |
