5XPL
Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.780, 44.910, 45.520 |
| Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
| Resolution | 64.260 - 2.050 |
| R-factor | 0.18883 |
| Rwork | 0.186 |
| R-free | 0.24173 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.689 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 64.260 |
| High resolution limit [Å] | 2.050 |
| Number of reflections | 14660 |
| <I/σ(I)> | 11.3 |
| Completeness [%] | 88.7 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-Formate, PEG 4000, Ethylenglycol |
