5ABJ

Structure of Coxsackievirus A16 in complex with GPP3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	293
Detector technology	PIXEL
Collection date	2012-10-10
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	491.600, 491.600, 709.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.950 - 2.750
R-factor	0.305
Rwork	0.305
R-free	0.30700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
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 (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.580
Number of reflections	888041
<I/σ(I)>	1.42	0.62
Completeness [%]	40.5	36.1
Redundancy	1.3	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				3.2 M SODIUM CHLORIDE, 0.1 M SODIUM ACETATE TRIHYDRATE PH 7.0