6XZJ

Structure of zVDR LBD-Calcitriol in complex with chimera 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	66.200, 66.200, 254.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.040 - 2.100
R-factor	0.2042
Rwork	0.202
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
RMSD bond length	0.004
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.040	2.180
High resolution limit [Å]	2.100	2.100
Rpim	0.024	0.722
Number of reflections	19740	1757
<I/σ(I)>	16.74
Completeness [%]	97.2
Redundancy	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	NaAcetate 3M, 0.1 M Tris pH 7.5