4P38
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-22 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.514 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 103.516, 103.516, 134.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.270 - 2.800 |
R-factor | 0.229 |
Rwork | 0.227 |
R-free | 0.27220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.270 |
Data scaling software | d*TREK (9.9L) |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.270 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.111 | 0.540 |
Number of reflections | 20969 | |
<I/σ(I)> | 8.5 | 1.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 6.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 42% PEG400, 100 mM Tris-HCl pH 8.5 and 2 mM compound |