4Z35

Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	34.610, 112.400, 155.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.2657
Rwork	0.265
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ids 3V2Y and 4EIY
RMSD bond length	0.009
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	3.100
High resolution limit [Å]	2.900	2.900
Rmerge	0.140	0.490
Number of reflections	11627
<I/σ(I)>	4	1
Completeness [%]	78.0	62
Redundancy	2.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	0.1 M sodium citrate (pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate
1	LIPIDIC CUBIC PHASE	5.5	293	0.1 M sodium citrate (pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate