9OGQ

Rotavirus NSP2 K294E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-15
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54
Spacegroup name	I 4 2 2
Unit cell lengths	108.426, 108.426, 153.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.390 - 2.250
R-factor	0.228
Rwork	0.227
R-free	0.25270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.663
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.250	5.150	2.250
Rmerge	0.112	0.032	1.900
Rmeas	0.116	0.033	1.983
Rpim	0.032	0.010	0.567
Total number of observations	549241
Number of reflections	42005	3550	3516
<I/σ(I)>	6.8
Completeness [%]	100.0	99.9	100
Redundancy	13.1	11.2	12.2
CC(1/2)	0.998	1.000	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris-HCl pH 7.5, 0.2M MgAc, 12% PEG6K