7OJ7

Crystal structure of human coxsackievirus A24v in complex with a pentavalent N-acetylneuraminic acid conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976250
Spacegroup name	I 2 2 2
Unit cell lengths	305.520, 365.550, 366.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 1.780
Rwork	0.158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q4w
RMSD bond length	0.005
RMSD bond angle	1.371
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232 2018/13/08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.962	1.890
High resolution limit [Å]	1.780	1.780
Rmerge	0.263	1.331
Rmeas	0.282	1.428
Number of reflections	1921680	308924
<I/σ(I)>	6.6	1.1
Completeness [%]	99.9	99.7
Redundancy	7.7
CC(1/2)	0.989	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	200 mM Magnesium chloride, 3.4 M 1,6-Hexanediol, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K