1NA1

The structure of HRV14 when complexed with Pleconaril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-14
Detector	FUJI
Wavelength(s)	1.00
Spacegroup name	P 21 3
Unit cell lengths	437.160, 437.160, 437.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.300
R-factor	0.223
Rwork	0.222
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.540 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	ENVELOPE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.300	3.300
Rmerge	0.164 *	0.477 *
Total number of observations	545390 *
Number of reflections	320952
Completeness [%]	77.8	68.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES, NaCl, CaCl2, PEG8K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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)