9DF5

Human norovirus GII.3 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-29
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00002
Spacegroup name	P 43 21 2
Unit cell lengths	78.525, 78.525, 105.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.030 - 2.800
R-factor	0.2539
Rwork	0.252
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.030	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.081	0.504
Rmeas	0.085	0.528
Rpim	0.028	0.157
Number of reflections	8595	415
<I/σ(I)>	18.3	2.1
Completeness [%]	99.8	100
Redundancy	10.5	11.2
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1-0.35M KSCN, 15-25% PEG 3,350, 0.1M Bis-Tris Propane