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 |