7OY4
VDR complex of a side-chain hydroxylated derivatives of lithocholic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-04 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 66.489, 66.489, 263.846 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.970 - 2.000 |
R-factor | 0.1997 |
Rwork | 0.196 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.970 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 20789 | 956 |
<I/σ(I)> | 23.07 | |
Completeness [%] | 85.0 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate |