7W9S

Crystal structure of the enterovirus 71 polymerase elongation complex (C1S3 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	PIXEL
Collection date	2018-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	63.992, 77.663, 150.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.935 - 2.530
R-factor	0.2024
Rwork	0.200
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f8g
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.620
High resolution limit [Å]	2.530	5.450	2.530
Rmerge	0.063	0.042	0.774
Rmeas	0.072	0.048	0.886
Rpim	0.033	0.022	0.418
Total number of observations	111816
Number of reflections	25127	2612	2335
<I/σ(I)>	20.2
Completeness [%]	95.2	92	90.6
Redundancy	4.5	4.2	3.6
CC(1/2)		0.997	0.645

Crystallization Conditions

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