2ZXN
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 | 2008-06-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97800 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.158, 43.879, 41.886 |
Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
Resolution | 42.170 - 2.100 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rk3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
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 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.045 | 0.234 |
Number of reflections | 16470 | |
Completeness [%] | 97.5 | 92.2 |
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 |