6IQL

Crystal structure of dopamine receptor D4 bound to the subtype-selective ligand, L745870

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	46.700, 142.000, 146.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.500
R-factor	0.307
Rwork	0.306
R-free	0.33600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wiu 1m6t
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	10.000	3.600
High resolution limit [Å]	3.400	8.000	3.400
Rmerge	0.230
Rmeas	0.253
Number of reflections	13628	424	3671
<I/σ(I)>	3.19	7.72	0.9
Completeness [%]	97.0	97.5	95
Redundancy	5.427	5.27	5
CC(1/2)	0.985	0.987	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	100 mM MES (pH 6.0), 50 mM ammonium citrate, 30% PEG 400