5YZ3

Crystal structure of T2R-TTL-28 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	2017-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	104.887, 157.496, 180.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.616 - 2.545
R-factor	0.2107
Rwork	0.210
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ezy
RMSD bond length	0.003
RMSD bond angle	0.678
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.545	2.550
Number of reflections	98589
<I/σ(I)>	14.5
Completeness [%]	100.0
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	298	6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2, 30 mM MgCl2