3HFG
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-27 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.438, 152.670, 74.203 |
Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
Resolution | 28.233 - 2.300 |
R-factor | 0.234 |
Rwork | 0.231 |
R-free | 0.28500 |
Structure solution method | Rigid Body Refinement |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.091 | 0.045 | 0.928 |
Number of reflections | 54010 | ||
<I/σ(I)> | 10.318 | ||
Completeness [%] | 98.2 | 98.4 | 97.1 |
Redundancy | 2.6 | 3.1 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 291 | 16.4 % PEG 3350, 100 mM MES pH 7.1, vapor diffusion, hanging drop, temperature 291K |