4DW1

Crystal structure of the ATP-gated P2X4 ion channel in the ATP-bound, open state at 2.8 Angstroms

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	CCD
Collection date	2011-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	H 3 2
Unit cell lengths	128.791, 128.791, 252.074
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.940 - 2.800
R-factor	0.2104
Rwork	0.208
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.566
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Number of reflections	19941
Completeness [%]	99.0	98.4
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	1 mM ATP, 20-26% PEG 2000, 300 mM Mg(NO3)2, 100 mM Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K