7XR1

Crystal structure of T2R-TTL-3a complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	105.096, 157.528, 181.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.350 - 2.810
R-factor	0.2043
Rwork	0.203
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.830	118.830	2.960
High resolution limit [Å]	2.810	8.890	2.810
Rmerge	0.312	0.249	0.756
Rmeas	0.336	0.270	0.810
Rpim	0.122	0.102	0.287
Total number of observations	550136	16370	81622
Number of reflections	73641	2533	10628
<I/σ(I)>	5.4	7.4	2.5
Completeness [%]	99.9	99.4	100
Redundancy	7.5	6.5	7.7
CC(1/2)	0.956	0.945	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7