1ND3

The structure of HRV16, when complexed with pleconaril, an antiviral compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 2 21 21
Unit cell lengths	360.301, 343.331, 332.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.247
Rwork	0.247
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.340 *

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800
Rmerge	0.082 *	0.191 *
Total number of observations	1224998 *
Number of reflections	731062
Completeness [%]	95.1 *	62.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.25 (M)
2	1	reservoir		0.25 (M)
3	1	reservoir		0.1 (M)
4	1	reservoir	PEG8000	0.3 (%)
5	1	drop	protein	20000 (mg/ml)