6XZV

Structure of zVDR LBD-Calcitriol in complex with chimera 18

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	2018-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 65 2 2
Unit cell lengths	66.244, 66.244, 252.522
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.920 - 2.300
R-factor	0.2021
Rwork	0.199
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
RMSD bond length	0.004
RMSD bond angle	0.737
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]	19.920	2.380
High resolution limit [Å]	2.030	2.030
Rpim	0.018	0.372
Number of reflections	15432	1492
<I/σ(I)>	25.56	2.06
Completeness [%]	99.3	100
Redundancy	37.1	40

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Lithium sulfate 1.5 M