5Y2J

Crystal structure of the oligomerization domain of NSP4 from rotavirus strain MF66

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-03-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	2.2898
Spacegroup name	P 21 21 21
Unit cell lengths	53.610, 69.570, 69.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.465 - 2.550
R-factor	0.2239
Rwork	0.222
R-free	0.25820
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.073
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX ((1.11.1-2575))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.465
High resolution limit [Å]	2.550
Rmerge	0.160
Rpim	0.040
Number of reflections	16353
<I/σ(I)>	10.2
Completeness [%]	99.9
Redundancy	27
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	299	0.1M sodium acetate trihydrate, 24% PEG 2000, 10mM magnesium chloride, 10mM nickel chloride, 10mM cadmium chloride, 20% ethylene glycol