5U1L

Crystal structure of the ATP-gated P2X7 ion channel in the closed, apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1051
Spacegroup name	I 21 3
Unit cell lengths	169.058, 169.058, 169.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.183 - 3.400
R-factor	0.2431
Rwork	0.241
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A740003 bound P2X7
RMSD bond length	0.002
RMSD bond angle	0.484
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.800	48.800	3.670
High resolution limit [Å]	3.400	9.000	3.400
Rmerge	0.099	0.032	1.392
Rmeas	0.105	0.033	1.469
Rpim	0.033	0.011	0.462
Total number of observations	110336	5740	22741
Number of reflections	11207
<I/σ(I)>	16.9	59.3	1.7
Completeness [%]	99.9	99.4	99.8
Redundancy	9.8	8.9	10
CC(1/2)	1.000	1.000	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	100 mM HEPES (pH 7.0), 100 mM NaCl, 4% ethylene glycol, 15% glycerol, 29% PEG-400, 0.1 mg/mL lipid mixture (60% POPE, 20% POPG, and 20% cholesterol).