9EZ1

Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3

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	2022-07-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	65.980, 65.980, 263.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.910 - 1.950
R-factor	0.2122
Rwork	0.208
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.008
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]	43.910	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	25896	2487
<I/σ(I)>	22.96
Completeness [%]	99.3
Redundancy	2
CC(1/2)	1.000	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.0,2.5 M NaOAc