4Z34

Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307

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	2012-06-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	34.280, 112.150, 154.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.000
R-factor	0.2556
Rwork	0.254
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ids 3V2Y and 4EIY
RMSD bond length	0.010
RMSD bond angle	1.080
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]	45.000	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.190	0.460
Number of reflections	10576
<I/σ(I)>	4.7	1.4
Completeness [%]	85.0	75
Redundancy	4	2.1

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