5E7V
Potent Vitamin D Receptor Agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07207 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.490, 66.490, 263.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.910 - 2.400 |
| R-factor | 0.1869 |
| Rwork | 0.186 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hc4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.860 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.088 | 0.285 |
| Number of reflections | 14509 | |
| <I/σ(I)> | 24 | |
| Completeness [%] | 97.3 | 79.8 |
| Redundancy | 8.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | li sulfate |
