5BNP

Crystal structure of human enterovirus D68 in complex with 3'SLN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9787
Spacegroup name	I 2 2 2
Unit cell lengths	325.800, 347.200, 356.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.450 - 2.150
Rwork	0.244
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mw8
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.124	0.049	0.529
Rmeas	0.166	0.064	0.733
Rpim	0.109	0.040	0.505
Total number of observations	1391417
Number of reflections	823936
<I/σ(I)>	6.4
Completeness [%]	76.3	66.4	78.3
Redundancy	1.7	1.9	1.6
CC(1/2)		0.994	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Sodium Acetate (pH 4.5), 3.5 M Sodium Formate