3D5Q
Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.675, 153.319, 73.601 |
| Unit cell angles | 90.00, 92.20, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.26500 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.696 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.043 | 0.442 |
| Number of reflections | 40780 | |
| <I/σ(I)> | 10.2 | 3.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 289 | 19% PEG 3350, 0.1 M MES 6.4, vapor diffusion, temperature 289K |
