6TQ7

Crystal structure of the Orexin-1 receptor in complex with SB-334867

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	59.766, 148.243, 71.668
Unit cell angles	90.00, 112.17, 90.00

Refinement procedure

Resolution	33.921 - 2.664
R-factor	0.2221
Rwork	0.220
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6to7
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.923	2.804
High resolution limit [Å]	2.664	2.664
Number of reflections	19273	184
<I/σ(I)>	10.6
Completeness [%]	58.4
Redundancy	5.3
CC(1/2)	0.997	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	284	0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400