6IGK

Crystal Structure of human ETB receptor in complex with Endothelin-3

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	2016-07-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	65.550, 172.280, 121.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.599 - 2.000
R-factor	0.1853
Rwork	0.183
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5glh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.599	49.599	2.120
High resolution limit [Å]	2.000	5.990	2.000
Rmerge	0.858	0.110	18.011
Rmeas	0.860	0.110	18.057
Total number of observations	9582405
Number of reflections	46829	1879	7430
<I/σ(I)>	20.7	96.91	0.95
Completeness [%]	100.0	99.3	100
Redundancy	204.625	207.283	199.228
CC(1/2)	0.998	0.997	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	PEG 500DME, Ammonium citrate tribasic