5VKS

Crystal structure of P[19] rotavirus VP8* complexed with LNFPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-09
Detector	RAYONIX MX-225HE
Wavelength(s)	0.97931
Spacegroup name	I 41
Unit cell lengths	115.631, 115.631, 101.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 1.940
R-factor	0.2025
Rwork	0.201
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gj6
RMSD bond length	0.013
RMSD bond angle	1.439
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.700	29.700	2.050
High resolution limit [Å]	1.941	6.140	1.940
Rmerge		0.064	0.741
Rmeas	0.179	0.073	0.859
Rpim	0.065	0.027	0.312
Total number of observations	374030	11396	53918
Number of reflections	49456
<I/σ(I)>	8.2	19.4	2.7
Completeness [%]	99.9	98.2	100
Redundancy	7.6	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.5 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 1.0 M lithium sulfate monohydrate