6TQ9

Crystal structure of the Orexin-1 receptor in complex with SB-408124

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	60.365, 147.067, 72.536
Unit cell angles	90.00, 111.09, 90.00

Refinement procedure

Resolution	44.713 - 2.655
R-factor	0.241
Rwork	0.240
R-free	0.26930
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]	44.713	2.795
High resolution limit [Å]	2.655	2.655
Number of reflections	19851	297
<I/σ(I)>	8.7
Completeness [%]	58.3
Redundancy	9.6
CC(1/2)	0.998	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	284	0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400