7BO6

VDR complex with LCA derivative

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	2019-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	66.390, 66.390, 263.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.120 - 2.860
R-factor	0.2001
Rwork	0.193
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
RMSD bond length	0.008
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	2.962
High resolution limit [Å]	2.860	2.860
Number of reflections	8703	835
<I/σ(I)>	60.46
Completeness [%]	99.7
Redundancy	34.8
CC(1/2)	1.000	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate