1I5R
TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX
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 | 1999-04-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.009 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.272, 42.706, 58.732 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| Rwork | 0.185 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1bhs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.031 | 0.109 |
| Total number of observations | 155176 * | |
| Number of reflections | 38831 | |
| <I/σ(I)> | 26.9 | 6.9 |
| Completeness [%] | 95.2 | 86.2 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG3500, GLYCEROL, SODIUM CHLORIDE, BETA-OCTYL GLUCOSIDE, DITHIOTHREITOL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | beta-octylglucoside | 0.06 (%) | |
| 2 | 1 | drop | protein | 16 (mg/ml) | |
| 3 | 1 | reservoir | PEG3350 | 30 (%) | |
| 4 | 1 | reservoir | 160 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
