4NWV

Crystal structure of Orsay virus-like particle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.1271
Spacegroup name	I 2 2 2
Unit cell lengths	402.197, 369.862, 410.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.250
R-factor	0.2778
Rwork	0.278
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RAVE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.250	8.810	3.250
Rmerge	0.190	0.038	0.720
Number of reflections	410231
<I/σ(I)>	5.7
Completeness [%]	87.8	94.5	58.3
Redundancy	3	3.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.7-1.05 M sodium malonate, 0.25%-1% (v/v) Jeffamine ED-2001, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K