5Z3Q

Crystal Structure of a Soluble Fragment of Poliovirus 2C ATPase (2.55 Angstrom)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977780
Spacegroup name	P 1 21 1
Unit cell lengths	52.698, 84.073, 172.562
Unit cell angles	90.00, 94.21, 90.00

Refinement procedure

Resolution	40.618 - 2.545
R-factor	0.2052
Rwork	0.202
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gq1
RMSD bond length	0.018
RMSD bond angle	1.471
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.809	2.574
High resolution limit [Å]	2.545	2.545
Rmerge	0.119	0.949
Rmeas	0.132	1.029
Number of reflections	95988	15058
<I/σ(I)>	7.56	1.13
Completeness [%]	99.1	96.4
Redundancy	3.42	3.22
CC(1/2)	0.993	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	MgCl2 0.2M, MES 0.1M pH 6.5, 3%(v/v) PGE4000, Polypropylene glycol P 400 (9.2% v/v) , 0.5mM TECP HCl