3SIS

Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-23
Detector	ADSC QUANTUM 210r
Spacegroup name	P 21 21 21
Unit cell lengths	55.310, 56.770, 110.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.120 - 2.200
R-factor	0.19522
Rwork	0.193
R-free	0.23837
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i2s
RMSD bond length	0.008
RMSD bond angle	1.162
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.620	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.054	0.258
Number of reflections	18082
<I/σ(I)>	10.1	1.5
Completeness [%]	98.5	91.8
Redundancy	11.72	3.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	15-20 mg/mL protein, 65-75% MPD, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K