5F8L

Enterovirus 71 Polymerase Elongation Complex (C3S1 Form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97911
Spacegroup name	P 21 21 21
Unit cell lengths	62.228, 76.709, 151.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.034 - 2.812
R-factor	0.2022
Rwork	0.200
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol6
RMSD bond length	0.009
RMSD bond angle	1.163
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (phenix.refine: 1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	2.910
High resolution limit [Å]	2.810	6.050	2.810
Rmerge	0.102	0.045	0.500
Rmeas	0.111	0.049	0.543
Rpim	0.044	0.020	0.211
Total number of observations	116789
Number of reflections	18195
<I/σ(I)>	8.2
Completeness [%]	99.9	99.6	100
Redundancy	6.4	6.1	6.6
CC(1/2)		0.997	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.085M MES pH 6.5, 25.5 %(w/v) PEG 5000 monomethyl ether, 15%(v/v) Glycerol