2I2S

Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-16
Detector	MAR CCD 165 mm
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	53.929, 64.663, 109.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.1654
Rwork	0.163
R-free	0.21952
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model based on the structure of Rhesus rotavirus VP8*
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	55.900
High resolution limit [Å]	2.300
Number of reflections	17704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	70% MPD, 0.1M HEPES pH 7.5, methyl-alpha-D-N-acetylneuraminide , VAPOR DIFFUSION, HANGING DROP, temperature 295K