5XW6

Crystal structure of the chicken ATP-gated P2X7 receptor channel in the presence of competitive antagonist TNP-ATP at 3.1 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	113.038, 113.038, 333.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 3.100
R-factor	0.2212
Rwork	0.220
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f1c
Data scaling software	Aimless (0.5.27)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.880	29.880	3.230
High resolution limit [Å]	3.100	11.170	3.100
Rmerge	0.221	0.102	1.345
Rmeas	0.242	0.114	1.468
Rpim	0.097	0.049	0.578
Total number of observations	241339
Number of reflections	40271
<I/σ(I)>	5.2
Completeness [%]	99.8	94.5	100
Redundancy	6	5.4	6.1
CC(1/2)	0.986	0.987	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.5 M sodium sulfate, 0.05 M lithium chloride, 0.05 M Tris, pH 8.0, 32% PEG400