7ZYW

Crystal structure of T2R-TTL-PM534 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 21 21 21
Unit cell lengths	104.803, 158.026, 181.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.660 - 2.450
R-factor	0.2198
Rwork	0.218
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o2b
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.660	49.660	2.490
High resolution limit [Å]	2.450	13.420	2.450
Rmerge	0.088	0.072	0.919
Rmeas	0.099	0.083	1.031
Rpim	0.044	0.039	0.458
Total number of observations	524464	3402	26445
Number of reflections	110428	763	5433
<I/σ(I)>	9.6	21.6	1.7
Completeness [%]	99.6	98.1	100
Redundancy	4.7	4.5	4.9
CC(1/2)	0.992	0.982	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	Mes, Imidazole, Calcium Chloride, Magnesium Chloride, L-tyrosine, Glycerol, PEG4000