2ZXM
A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.252, 43.424, 42.369 |
| Unit cell angles | 90.00, 95.97, 90.00 |
Refinement procedure
| Resolution | 38.620 - 3.010 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rk3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.086 | 0.392 |
| Number of reflections | 5664 | |
| Completeness [%] | 99.1 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-Formate, PEG4000, Ethyleneglycol, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
