5F1C

Crystal structure of an invertebrate P2X receptor from the Gulf Coast tick in the presence of ATP and Zn2+ ion at 2.9 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-07
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	82.458, 139.900, 202.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.068 - 2.900
R-factor	0.256
Rwork	0.255
R-free	0.28880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ATP-bound zfP2X4-C structure (PDB: 4DW1)
RMSD bond length	0.014
RMSD bond angle	1.693
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.177	0.049	0.845
Rmeas	0.193	0.052	0.941
Rpim	0.075	0.019	0.406
Total number of observations	329968
Number of reflections	52512
<I/σ(I)>	9.1
Completeness [%]	99.6	96	99.6
Redundancy	6.3	7	5
CC(1/2)		0.998	0.062

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	PEG 8000, zinc acetate, MES