5XI5

Crystal structure of T2R-TTL-PO5 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	105.251, 157.375, 182.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.170 - 2.810
R-factor	0.22855
Rwork	0.227
R-free	0.26546
RMSD bond length	0.007
RMSD bond angle	1.238
Data reduction software	SCALEPACK
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	119.170
High resolution limit [Å]	2.810
Number of reflections	78443
<I/σ(I)>	0
Completeness [%]	99.8
Redundancy	4.2

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