6XZK

Structure of zVDR LBD-Calcitriol in complex with chimera 13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	66.112, 66.112, 262.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.931 - 2.000
R-factor	0.2023
Rwork	0.201
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
RMSD bond length	0.003
RMSD bond angle	0.708
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]	14.931	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.013	0.332
Number of reflections	23222	1833
<I/σ(I)>	16.04	3.32
Completeness [%]	96.2	78.57
Redundancy	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	Lithium sulfate 1.8 M, Mes 100 mM