4HX5
Crystal structure of 11 beta-HSD1 in complex with SAR184841
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.399, 153.491, 73.755 |
| Unit cell angles | 90.00, 92.89, 90.00 |
Refinement procedure
| Resolution | 73.660 - 2.190 |
| Rwork | 0.163 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qqp |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 73.660 |
| High resolution limit [Å] | 2.190 |
| Rmerge | 0.082 |
| Number of reflections | 64258 |
| <I/σ(I)> | 13.1 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 40% PEG300, 0.1M MES, PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
