6IIV

Crystal structure of the human thromboxane A2 receptor bound to daltroban

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)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	81.530, 152.170, 125.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.350 - 3.000
R-factor	0.212
Rwork	0.209
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pxz 1m6t 1iro
RMSD bond length	0.010
RMSD bond angle	1.150
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	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.242	0.820
Number of reflections	15664
<I/σ(I)>	6.8	1
Completeness [%]	97.2	86.3
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	Magnesium acetate, PEG 400