8PZ7

crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57

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	2022-12-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	66.240, 66.240, 264.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.060 - 2.930
R-factor	0.2023
Rwork	0.196
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.914
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]	48.070	3.040
High resolution limit [Å]	2.930	2.930
Number of reflections	8045	750
<I/σ(I)>	25.4
Completeness [%]	99.6
Redundancy	2
CC(1/2)	1.000	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	NH4Acetate 3.5M, BisTrisPropane 0.1M pH 7