9XPL

Crystal structure of the pufferfish taste receptor Tas1r1-Tas1r3 ligand binding domains in complex with D-phenylalanine

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	2023-02-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	99.460, 106.900, 101.670
Unit cell angles	90.00, 91.91, 90.00

Refinement procedure

Resolution	45.250 - 2.900
Rwork	0.215
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207:)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.439	4.040
Rmeas	0.440	4.060
Rpim	0.030	0.282
Number of reflections	23572	3865
<I/σ(I)>	29.3	3.54
Completeness [%]	99.6	99.5
Redundancy	183	183
CC(1/2)	0.991	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	PEG3350, glycerol