5XPR

Human endothelin receptor type-B in complex with antagonist bosentan

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	CCD
Collection date	2015-12-01
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	74.720, 74.720, 218.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.577 - 3.600
R-factor	0.2525
Rwork	0.248
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.577
High resolution limit [Å]	3.600
Number of reflections	8691
<I/σ(I)>	8.49
Completeness [%]	98.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	PEG 500 DME, Na2SO4, MOPS