1OV4
Crystal structure of human DHEA-ST complexed with androsterone
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 | 2001-09-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.07210 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 75.293, 129.818, 44.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
Rwork | 0.230 |
R-free | 0.27100 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB ENTYR 1J99 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.075 * | 0.424 * |
Total number of observations | 36310 * | |
Number of reflections | 11911 | 1189 * |
Completeness [%] | 95.2 | 96.7 |
Redundancy | 3.1 * | 3.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium sulfate, HEPES, sodium chloride, pH 7.5, 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 | Tris | 10 (mM) | pH7.5 |
3 | 1 | drop | n-octyl beta-D-glucopyranoside | 0.1 (%) | |
4 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
6 | 1 | reservoir | 0.1 (M) |