5F8M

Enterovirus 71 Polymerase Elongation Complex (C3S4/5 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	63.640, 76.710, 150.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.908 - 2.830
R-factor	0.1952
Rwork	0.193
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol6
RMSD bond length	0.009
RMSD bond angle	1.204
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	2.930
High resolution limit [Å]	2.830	6.100	2.830
Rmerge	0.065	0.024	0.503
Rmeas	0.076	0.028	0.585
Rpim	0.038	0.014	0.296
Total number of observations	65250
Number of reflections	17637
<I/σ(I)>	10.6
Completeness [%]	95.8	99	96.1
Redundancy	3.7	3.8	3.8
CC(1/2)		0.999	0.757

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