7XN9

Crystal structure of SSTR2 and L-054,522 complex

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	2017-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	74.520, 97.957, 170.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.260 - 2.600
R-factor	0.2153
Rwork	0.213
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n6h
RMSD bond length	0.013
RMSD bond angle	1.108
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]	37.260	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	19455	1875
<I/σ(I)>	10.91
Completeness [%]	99.2
Redundancy	7.5
CC(1/2)	0.996	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	100-400 mM lithium nitrate, 6-10% PEG2000, 100 mM L-054,522, and 0.1 M HEPES, pH 7.0