6NIW

Crystal structure of P[6] rotavirus

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	2018-12-06
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	56.691, 76.000, 73.881
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	73.840 - 1.550
R-factor	0.2004
Rwork	0.199
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vx8
RMSD bond length	0.014
RMSD bond angle	1.546
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.840	73.840	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge	0.042	0.024	0.476
Rmeas	0.050	0.028	0.565
Rpim	0.027	0.015	0.300
Total number of observations	299725
Number of reflections	87191	2842	12671
<I/σ(I)>	13.3
Completeness [%]	95.8	95.6	95.4
Redundancy	3.4	3.3	3.4
CC(1/2)	0.999	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES sodium pH 7.5, 1.5 M Lithium sulfate monohydrate