7CE8

Crystal structure of T2R-TTL-Compound11 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	2017-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	105.250, 157.675, 181.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.131 - 2.725
R-factor	0.2078
Rwork	0.207
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
RMSD bond length	0.003
RMSD bond angle	0.698
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.725	2.730
Rpim	0.075	0.333
Number of reflections	81067	5359
<I/σ(I)>	10.2
Completeness [%]	100.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2 and 30 mM MgCl2