7ZFX

VDR complex with Aromatic-D-Ring Analog

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	2021-07-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	65.723, 65.723, 263.897
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.770 - 2.600
R-factor	0.2126
Rwork	0.208
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	11295	1017
<I/σ(I)>	11.2
Completeness [%]	99.5
Redundancy	8.7
CC(1/2)	0.987	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	NaActetae 2.5M, Tris 0.1M