8PZB

crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49

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	65.620, 65.620, 263.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.040 - 2.730
R-factor	0.2137
Rwork	0.207
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.888
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]	47.730	2.830
High resolution limit [Å]	2.730	2.730
Number of reflections	9681	910
<I/σ(I)>	29
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	(NH4)2SO4 1.6M, Mes 0.1M pH 6