7M8W

XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-11-04
Detector	CS-PAD CXI-1
Wavelength(s)	1.33
Spacegroup name	P 21 21 21
Unit cell lengths	51.400, 67.800, 265.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.430 - 2.610
R-factor	0.2311
Rwork	0.229
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d27
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.430	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	29269	12462
<I/σ(I)>	2.4	0.2
Completeness [%]	98.9	90.6
Redundancy	61.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	283	sodium chloride, lithium sulphate, sodium citrate tribasic dihydrate, PEG 300, propylene glycol P400, PGD2