7SUS

Crystal structure of Apelin receptor in complex with small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	163.010, 44.560, 79.680
Unit cell angles	90.00, 115.62, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.253
Rwork	0.252
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vbl 1iro
RMSD bond length	0.008
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.930	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.560
Number of reflections	13301	1636
<I/σ(I)>	5.9	1.3
Completeness [%]	92.3
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM MES pH 6.1, 26% PEG500 DME, 125 mM MgCl2, 100 mM NaCl