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