5F8I

Enterovirus 71 Polymerase Elongation Complex (C1S2/3 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	2014-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 21 21 21
Unit cell lengths	63.669, 77.310, 149.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.265 - 2.503
R-factor	0.2017
Rwork	0.199
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol6
RMSD bond length	0.008
RMSD bond angle	1.198
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	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.060	0.030	0.482
Rmeas	0.068	0.034	0.550
Rpim	0.032	0.016	0.263
Total number of observations	112185
Number of reflections	26095
<I/σ(I)>	12.1
Completeness [%]	99.6	98.7	100
Redundancy	4.3	4.5	4.3
CC(1/2)		0.999	0.824

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