4HFR
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | CCD |
| Collection date | 2006-10-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.193, 108.193, 135.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.320 - 2.730 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bel |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.500 | 2.800 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.056 | 0.570 |
| Number of reflections | 24156 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 97.6 | 99.1 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 42% PEG400, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION |
