4S0V

Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant

Replaces:  4RNB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	94.358, 75.819, 96.335
Unit cell angles	90.00, 111.71, 90.00

Refinement procedure

Resolution	43.717 - 2.500
R-factor	0.1972
Rwork	0.197
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 4DKL and 2BFW
RMSD bond length	0.004
RMSD bond angle	0.745
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	22305
Completeness [%]	100.0	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Lipidic Cubic Phase (LCP)	5.9	293	31% PEG 400, 0.1 M sodium citrate, 0.2 M sodium formate, 3%(w/v) hexanediol, pH 5.9, Lipidic Cubic Phase (LCP), temperature 293K