6TSD

Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752

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	2016-05-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	305.475, 365.351, 366.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.955 - 1.810
Rwork	0.150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q4w
RMSD bond length	0.006
RMSD bond angle	1.381
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0232 2018/13/08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.810	1.810
Number of reflections	14074225	2244009
<I/σ(I)>	8.18
Completeness [%]	99.9	99.4
Redundancy	7.71
CC(1/2)	0.993	0.679

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