6IIU

Crystal structure of the human thromboxane A2 receptor bound to ramatroban

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	81.160, 155.080, 128.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.530 - 2.500
R-factor	0.199
Rwork	0.198
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pxz 1m6t 1iro
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.156	0.649
Number of reflections	27682
<I/σ(I)>	7.4	2.3
Completeness [%]	97.6	89.9
Redundancy	5.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	Magnesium acetate, PEG 500 DME