5SVR

Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491

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	2015-12-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	123.170, 123.170, 237.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.674 - 3.130
R-factor	0.2538
Rwork	0.252
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2142: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	3.130
Number of reflections	12308
<I/σ(I)>	20.37
Completeness [%]	98.3
Redundancy	10.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	20% PEG 400, 100 mM Glycine, pH 8.5, 150 mM MgCl2