5AWK
Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.030, 41.970, 41.860 |
| Unit cell angles | 90.00, 95.96, 90.00 |
Refinement procedure
| Resolution | 40.480 - 2.900 |
| R-factor | 0.21074 |
| Rwork | 0.208 |
| R-free | 0.26653 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.128 |
| Data scaling software | iMOSFLM |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.480 |
| High resolution limit [Å] | 2.900 |
| Number of reflections | 9246 |
| <I/σ(I)> | 56 |
| Completeness [%] | 75.2 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-Formate, PEG 4000, Ethyleneglycol |
