2IRW
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 184.537, 184.537, 558.052 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 182.570 - 3.100 |
R-factor | 0.239 |
Rwork | 0.237 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.247 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 182.570 | 50.000 | 3.210 |
High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
Rmerge | 0.113 | 0.041 | 0.477 |
Number of reflections | 66694 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.6 | 5.3 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | VAPOR DIFFUSION |