5VX9

VP8* of P[6] Human Rotavirus RV3 in complex with LNFP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	36.510, 42.630, 95.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.740 - 1.822
R-factor	0.1459
Rwork	0.143
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aen
RMSD bond length	0.007
RMSD bond angle	1.094
Data reduction software	iMOSFLM (7.0.9)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.740
High resolution limit [Å]	1.822	1.822
Rmerge	0.091	0.183
Rpim	0.046	0.091
Number of reflections	13693
<I/σ(I)>	11.62
Completeness [%]	98.8
Redundancy	1.9
CC(1/2)	0.993	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.0 M ammonium sulfate, 0.1 M Tris, pH 8.5