4JGZ

Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	294
Detector technology	PIXEL
Collection date	2012-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97620
Spacegroup name	I 2 2 2
Unit cell lengths	338.400, 360.200, 366.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 3.000
R-factor	0.286
Rwork	0.286
R-free	0.31100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vbr
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.459
Number of reflections	110576
<I/σ(I)>	1.1	0.3
Completeness [%]	25.1	11.5
Redundancy	1.1	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.0 M to 0.75 M lithium sulfate monohydrate, 4-6% PEG6000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.0 M to 0.75 M lithium sulfate monohydrate, 4-6% PEG6000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K