6KWR

Crystal structure of enterovirus 71 polymerase elongation complex (ddCTP 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	2014-05-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	130.008, 76.454, 68.075
Unit cell angles	90.00, 94.92, 90.00

Refinement procedure

Resolution	38.227 - 2.500
R-factor	0.2185
Rwork	0.216
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f8g
RMSD bond length	0.008
RMSD bond angle	1.054
Data reduction software	d*TREK
Data scaling software	d*TREK (9.9.9.4D)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.230	38.230	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.075	0.033	0.463
Rmeas	0.092	0.041	0.569
Total number of observations	66443	6757	6635
Number of reflections	22884	2314	2268
<I/σ(I)>	7.6	23	1.6
Completeness [%]	98.9	97.6	99.6
Redundancy	2.88	2.91	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	289	PEG 4000