3H6K
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-27 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.198, 152.007, 74.543 |
Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
Resolution | 31.471 - 2.187 |
R-factor | 0.194 |
Rwork | 0.190 |
R-free | 0.27500 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.088 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.187 | 4.740 | 2.187 |
Rmerge | 0.065 | 0.032 | 0.373 |
Number of reflections | 51709 | ||
<I/σ(I)> | 15.173 | ||
Completeness [%] | 80.9 | 95.1 | 84.3 |
Redundancy | 2.4 | 2.6 | 2.2 |
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 |