7XNA

Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	42.150, 85.210, 163.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.820 - 2.650
Rwork	0.220
R-free	0.29040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n6h 2b45
RMSD bond length	0.010
RMSD bond angle	1.205
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.820	2.745
High resolution limit [Å]	2.650	2.650
Number of reflections	17481	1711
<I/σ(I)>	3.1
Completeness [%]	97.7
Redundancy	3.69
CC(1/2)	0.954	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	100-300 mM ammonium sulphate, 6-10% PEG2000, 1 mg/ml CYN 154806, and 0.1 M HEPES, pH 7.0