5YHL

Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative

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	2016-05-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9000
Spacegroup name	C 2 2 21
Unit cell lengths	101.970, 392.230, 81.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.339 - 4.200
R-factor	0.3343
Rwork	0.333
R-free	0.35880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5WV2
RMSD bond length	0.003
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.339	49.339	4.450
High resolution limit [Å]	4.200	12.510	4.200
Rmerge	0.072	0.190	0.676
Rmeas	0.741	0.197	6.993
Number of reflections	22914	867	3637
<I/σ(I)>	4.31	18.7	0.59
Completeness [%]	99.9	98	99.9
Redundancy	15.076	16.009	15.356
CC(1/2)	0.982	0.992	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	24-31% PEG 300, 150 mM potassium sulfate, 100 mM MES (pH 5.5-6.5), 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-208-Br, 2% DMSO