7OXU

VDR complex - calcitroic acid

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	2018-05-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	65.728, 65.728, 264.354
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.470 - 2.390
R-factor	0.2001
Rwork	0.193
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	2.479
High resolution limit [Å]	2.390	2.394
Number of reflections	14257	1361
<I/σ(I)>	12.26
Completeness [%]	99.2
Redundancy	20
CC(1/2)	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M Mes pH 6 and 1.8 M lithium sulfate