9XPJ

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

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	2021-10-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	72.500, 72.500, 431.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.880 - 3.100
R-factor	0.1971
Rwork	0.194
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.280	2.123
Rmeas	0.284	2.159
Rpim	0.050	0.384
Number of reflections	22251	3527
<I/σ(I)>	16.3	2.8
Completeness [%]	99.9	100
Redundancy	31.1	30.4
CC(1/2)	0.998	0.867

Crystallization Conditions

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