5XKF

Crystal structure of T2R-TTL-MPC6827 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	2015-06-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.97845
Spacegroup name	P 21 21 21
Unit cell lengths	105.617, 158.572, 182.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.876 - 2.800
R-factor	0.21167
Rwork	0.209
R-free	0.25861
RMSD bond length	0.007
RMSD bond angle	1.238
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.880
High resolution limit [Å]	2.800	2.800
Number of reflections	75913
<I/σ(I)>	15.059
Completeness [%]	99.9
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7