6TPJ

Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution

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	2017-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	P 1
Unit cell lengths	55.325, 76.247, 82.737
Unit cell angles	89.99, 85.25, 89.97

Refinement procedure

Resolution	47.695 - 2.740
R-factor	0.2092
Rwork	0.207
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqc
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.695	2.974
High resolution limit [Å]	2.740	2.760
Number of reflections	23784	1189
<I/σ(I)>	2.5
Completeness [%]	86.3
Redundancy	1.6
CC(1/2)	0.984	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM N-(2-Acetamido)iminodiacetic acid (ADA) 150-300 mM ammonium nitrate 28-43 % (v/v) polyethylene glycol 400