5WIV

Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	67.861, 162.836, 83.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.687 - 2.143
R-factor	0.1969
Rwork	0.195
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wiu
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.210
High resolution limit [Å]	2.143	4.920	2.150
Rmerge	0.110	0.073	0.659
Rmeas	0.122	0.081	0.781
Rpim	0.050	0.034	0.408
Number of reflections	24926
<I/σ(I)>	5.6
Completeness [%]	97.2	97.4	85.7
Redundancy	5.1	5.5	3
CC(1/2)		0.993	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM Tris-HCl, pH 5.9-6.2, 100-140 mM ammonium phosphate dibasic, 180-200 mM sodium chloride, 34% PEG400