7XQX

Crystal structure of T2R-TTL-27a 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	105.386, 157.490, 180.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.190 - 3.360
R-factor	0.1995
Rwork	0.197
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.720	118.720	3.540
High resolution limit [Å]	3.360	10.630	3.360
Rmerge	0.396	0.281	0.959
Rmeas	0.428	0.306	1.033
Rpim	0.158	0.118	0.379
Total number of observations	298951	9838	39579
Number of reflections	41350	1522	5516
<I/σ(I)>	4.4	6.2	2.2
Completeness [%]	94.9	99.5	87.8
Redundancy	7.2	6.5	7.2
CC(1/2)	0.935	0.913	0.788

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