3KLM
17beta-HSD1 in complex with DHT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.246, 43.360, 60.398 |
Unit cell angles | 90.00, 100.18, 90.00 |
Refinement procedure
Resolution | 30.330 - 1.700 |
R-factor | 0.21899 |
Rwork | 0.217 |
R-free | 0.25666 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
RMSD bond angle | 1.779 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.330 |
High resolution limit [Å] | 1.700 |
Number of reflections | 34119 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |