6TP6

Crystal structure of the Orexin-1 receptor in complex with filorexant

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	2016-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96861
Spacegroup name	P 1 21 1
Unit cell lengths	59.892, 146.202, 72.328
Unit cell angles	90.00, 111.12, 90.00

Refinement procedure

Resolution	34.992 - 2.338
R-factor	0.2131
Rwork	0.211
R-free	0.24380
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]	34.992	2.421
High resolution limit [Å]	2.338	2.338
Number of reflections	29373	90
<I/σ(I)>	13.5
Completeness [%]	60.0	2
Redundancy	5.2
CC(1/2)	0.997	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	284	0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400