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 |