2P3K

Crystal structure of Rhesus rotavirus VP8* at 100K

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 41 21 2
Unit cell lengths	47.887, 47.887, 129.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.560
R-factor	0.17336
Rwork	0.172
R-free	0.20009
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.171
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.087	0.115
Number of reflections	21759
<I/σ(I)>	6.2	5.3
Completeness [%]	96.1	93.4
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	303	1.7M (NH4)2SO4, 2.4% v/v PEG 400, 0.1M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K