9RCG

Vitamin D receptor complex with a vitamin D receptor agonist/histone deacetylase inhibitor hybrid molecule

This is a non-PDB format compatible entry.

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	2024-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	66.020, 66.020, 262.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.020 - 2.100
R-factor	0.1764
Rwork	0.176
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	2.160
High resolution limit [Å]	2.090	2.090
Number of reflections	21311	2027
<I/σ(I)>	29.2
Completeness [%]	99.2
Redundancy	2
CC(1/2)	1.000	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Na2 Tartrate 1.1M, MgCl2 0.2M, Hepes 0.1M pH7.5