1P5Y

The structures of host range controlling regions of the capsids of canine and feline parvoviruses and mutants

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.950
Spacegroup name	C 1 2 1
Unit cell lengths	440.450, 246.810, 443.650
Unit cell angles	90.00, 93.54, 90.00

Refinement procedure

Resolution	25.000 - 3.200
Rwork	0.252
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.520
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.600
High resolution limit [Å]	3.200	3.200
Rmerge	0.143 *	0.297 *
Number of reflections	474357
Completeness [%]	70.5 *	54.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	PEG8000, CaCl2, Tris.HCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	PEG8000, CaCl2, Tris.HCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	PEG8000, CaCl2, Tris.HCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	PEG8000, CaCl2, Tris.HCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	1 (%)
2	1	reservoir		8 (mM)
3	1	reservoir	Tris-HCl	20 (mM)	pH7.2