7C7V
Vitamin D3 receptor/lithochoric acid derivative complex
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] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.045, 36.898, 39.486 |
| Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| Rwork | 0.198 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.578 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 15052 | 2325 |
| <I/σ(I)> | 7.1 | 1.63 |
| Completeness [%] | 97.4 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.996 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M MOPS-NaOH (pH 7.0), 0.2 M sodium formate, 12% (w/v) PEG4000, and 8% (v/v) ethylene glycol |
