8P9X
Vitamin D receptor complex with Xe4Me agonist ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-17 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.91 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.827, 65.827, 264.258 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.860 - 2.150 |
R-factor | 0.2047 |
Rwork | 0.204 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.921 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17_3644: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.860 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 19488 | 1851 |
<I/σ(I)> | 12.36 | |
Completeness [%] | 98.9 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BTP pH 7.0, 3 M NaOAc |