5B41
Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.170, 41.750, 41.770 |
| Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
| Resolution | 35.020 - 1.890 |
| R-factor | 0.18943 |
| Rwork | 0.187 |
| R-free | 0.23443 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.679 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.020 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 20404 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 95.4 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-formate, PEG 4000, Ethyleneglycol |
