5B5B
Crystal structure of VDR-LBD complexed with 2-methylidene-26,27-diphenyl-19-nor-1,25-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 | 2014-05-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.060, 41.490, 83.890 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 30.140 - 2.000 |
| R-factor | 0.18251 |
| Rwork | 0.180 |
| R-free | 0.22991 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.647 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.140 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 30998 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 85.9 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-Formate, PEG 4000, Ethyleneglycol |
