4AED

Crystal structure of Human enterovirus 71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-04
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	I 21 21 21
Unit cell lengths	600.200, 610.600, 851.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.800
R-factor	0.2792
Rwork	0.279
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x5i
RMSD bond length	0.003
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.970
High resolution limit [Å]	3.800	3.800
Rmerge	0.240	0.790
Number of reflections	459113
<I/σ(I)>	2.41	1.19
Completeness [%]	31.7	11.5
Redundancy	1.7	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		2.5% W/W PEG800, 2.5% W/W GLYCEROL, 600MM NACL, 150MM CACL2, 100MM TRIS PH 8.0