5F8G

Enterovirus 71 Polymerase Elongation Complex (C1S1 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	63.128, 77.630, 153.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.774 - 2.780
R-factor	0.1952
Rwork	0.193
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol6
RMSD bond length	0.008
RMSD bond angle	1.125
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	2.880
High resolution limit [Å]	2.780	5.990	2.780
Rmerge	0.117	0.051	0.499
Rmeas	0.129	0.056	0.551
Rpim	0.054	0.024	0.229
Total number of observations	104922
Number of reflections	19258
<I/σ(I)>	6.8
Completeness [%]	97.6	94.9	98.4
Redundancy	5.4	5.3	5.5
CC(1/2)		0.998	0.890

Crystallization Conditions

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