4CEY

Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD

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	2013-01-31
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 2 3
Unit cell lengths	600.360, 600.360, 600.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 2.750
R-factor	0.291
Rwork	0.291
R-free	0.29500
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.3)
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	0.480
Number of reflections	615895
<I/σ(I)>	1.69	0.65
Completeness [%]	67.2	57.4
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.5