7C4S

Sphingosine-1-phosphate receptor 3 with a natural ligand.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	79.480, 247.080, 98.610
Unit cell angles	90.00, 97.37, 90.00

Refinement procedure

Resolution	43.480 - 3.200
R-factor	0.2429
Rwork	0.242
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v2y 5xli
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.480	43.480	3.390
High resolution limit [Å]	3.200	9.030	3.200
Rmerge	0.732	0.134
Rmeas	0.738	0.135	12.686
Total number of observations	1855076
Number of reflections	30984	1397	4934
<I/σ(I)>	11.02	51.83	1.28
Completeness [%]	100.0	99.1	100
Redundancy	59.872	64.586	53.468
CC(1/2)	0.996	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	100 mM Tris-HCl, 36% PEG 400, 80 mM Lithium Citrate