5Y9R

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	51.120, 57.430, 62.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.595 - 2.200
R-factor	0.2036
Rwork	0.202
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.770
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.600	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.063	0.410
Rmeas	0.079	0.520
Rpim	0.047	0.310
Number of reflections	9675	821
<I/σ(I)>	12.8	3.5
Completeness [%]	98.8	99.3
Redundancy	4.9	4.9
CC(1/2)	0.997	0.875

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