4ZJ8

Structures of the human OX1 orexin receptor bound to selective and dual antagonists

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	2014-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	63.242, 64.992, 181.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.714 - 2.751
R-factor	0.2254
Rwork	0.223
R-free	0.27250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s0v 2bfw
RMSD bond length	0.003
RMSD bond angle	0.732
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.750	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.130
Number of reflections	20480
<I/σ(I)>	17.2	1.19
Completeness [%]	100.0	99.8
Redundancy	12.8	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.4	293	100mM Sodium Citrate pH 5.4, 31% PEG 400, 200 mM Sodium Formate