5XSZ

Crystal structure of zebrafish lysophosphatidic acid receptor LPA6

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	2016-04-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	55.880, 65.020, 160.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.872 - 3.200
R-factor	0.2371
Rwork	0.236
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4XNV and 2RH1
RMSD bond length	0.008
RMSD bond angle	0.657
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.872	45.872	3.390
High resolution limit [Å]	3.200	9.560	3.200
Rmerge	0.560	0.195	3.565
Rmeas	0.568	0.198	3.622
Total number of observations	334825
Number of reflections	10233	443	1582
<I/σ(I)>	6.24	23.39	0.68
Completeness [%]	99.9	98	100
Redundancy	32.72	30.944	31.982
CC(1/2)	0.990	0.996	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	298	MES, PEG 400, NaH2PO4, 1,4-butanediol