6AUK

Crystal structure of rotavirus Non Structural protein 2 (NSP2) mutant S313D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9774
Spacegroup name	I 4 2 2
Unit cell lengths	107.926, 107.926, 152.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.016 - 2.603
R-factor	0.2082
Rwork	0.206
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l9v
RMSD bond length	0.007
RMSD bond angle	0.874
Data reduction software	SCALEPACK (7.0.043)
Data scaling software	HKL-2000 (v715)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.152	1.333
Rpim	0.038	0.326
Number of reflections	14160	702
<I/σ(I)>	23.6
Completeness [%]	100.0	100
Redundancy	16.9	17.8
CC(1/2)		0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	100 mM lithium sulfate, 100 mM sodium citrate, pH5.5, 20% PEG 1000