5ZIT

Crystal structure of human Enterovirus D68 RdRp in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97775
Spacegroup name	P 41 21 2
Unit cell lengths	60.683, 60.683, 360.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.428 - 3.196
R-factor	0.2509
Rwork	0.248
R-free	0.31420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xe0
RMSD bond length	0.010
RMSD bond angle	1.143
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.280
High resolution limit [Å]	3.190	3.190
Rmerge	0.281	0.631
Number of reflections	12153	948
<I/σ(I)>	12.67	6
Completeness [%]	100.0	100
Redundancy	23.8	25.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.1M Tris, PH 8.0, 3.5M NH4Cl, 10mM Chromic chroride hexahydrate,5mM NADPH