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 |
