3BZU
Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone 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 | 2006-06-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000590 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.020, 153.008, 73.725 |
| Unit cell angles | 90.00, 92.16, 90.00 |
Refinement procedure
| Resolution | 31.330 - 2.250 |
| R-factor | 0.20438 |
| Rwork | 0.201 |
| R-free | 0.26305 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.487 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0026) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.470 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.050 | 0.303 |
| Number of reflections | 56602 | |
| <I/σ(I)> | 15.2 | 4 |
| Completeness [%] | 96.6 | 94.1 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | 16-18% PEG3350, 0.1 M MES, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 6.2 |
