6AK3

Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2

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	2018-01-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	66.090, 42.280, 161.300
Unit cell angles	90.00, 96.09, 90.00

Refinement procedure

Resolution	48.377 - 2.900
R-factor	0.2529
Rwork	0.251
R-free	0.29520
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.080
High resolution limit [Å]	2.900	2.900
Number of reflections	20206
<I/σ(I)>	1.15
Completeness [%]	99.9
Redundancy	43.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	buffer A (0.1 M MES-NaOH (pH 6.0), 35 % PEG300, 400 mM Na2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer B (0.1 M MES-NaOH (pH 5.5-6.0), 30-40 % PEG300, 100 mM NaCl, 100 mM Li2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer C (0.1 M MES-NaOH (pH 6.1) or 0.1 M Tris-HCl (pH 7.5-8.0), 30 % PEG500MME, 200 mM (NH4)2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer D (0.1 M MES-NaOH (pH 5.8-6.1), 30 % PEG300, 100 mM MgSO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer E (0.1 M MES-NaOH (pH 5.5), 30 % PEG300, 100 mM K2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240)