3I5D

Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.5 Angstroms (R3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-01
Wavelength(s)	1.0000
Spacegroup name	H 3
Unit cell lengths	234.910, 234.910, 138.433
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.740 - 3.460
R-factor	0.277
Rwork	0.276
R-free	0.28900
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.460	3.460
Rmerge	0.053	0.791
Number of reflections	43062
<I/σ(I)>	18.1	1.4
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.4	277	12 % PEG 4,000, 100 mM sodium acetate, 100 mM ammonium sulfate, 1 mM GdCl3, pH 4.4, vapor diffusion, temperature 277K