9W6V
Crystal structure of 11betaHSD1 in complex with compound 1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 308.090, 99.370, 136.245 |
| Unit cell angles | 90.00, 104.14, 90.00 |
Refinement procedure
| Resolution | 49.690 - 3.200 |
| R-factor | 0.194 |
| Rwork | 0.187 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xu9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.275 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 65803 | 6278 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 99.4 | 94.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 10% PEG8000, 8% ethylene glycol and 0.1 M HEPES (pH 7.5) |
