5BNN

Crystal structure of human enterovirus D68 in complex with 6'SL

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	325.600, 347.100, 356.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.410 - 2.320
Rwork	0.246
R-free	0.24700
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
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.320	5.000	2.320
Rmerge	0.175	0.071	0.722
Rmeas	0.220	0.087	0.911
Rpim	0.130	0.049	0.545
Total number of observations	1016005
Number of reflections	526043
<I/σ(I)>	4.6
Completeness [%]	61.4	49.7	65.3
Redundancy	1.9	2.3	1.8
CC(1/2)		0.990	0.567

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