4QYK

Crystal structure of a canine parvovirus variant

This is a non-PDB format compatible entry.

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
Collection date	2012-10-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.918
Spacegroup name	P 42 21 2
Unit cell lengths	453.100, 453.100, 319.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.989 - 3.500
R-factor	0.1824
Rwork	0.180
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.540
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.5)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.990	49.990	3.560
High resolution limit [Å]	3.500	19.170	3.500
Rmerge	0.219	0.144	0.443
Total number of observations		14186	134661
Number of reflections	410828
<I/σ(I)>	8	5.9	4.4
Completeness [%]	99.9	94	100
Redundancy	6.7	5.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 20% PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K