6NIR

Crystal structure of a GII.4 norovirus HOV protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	295
Detector technology	PIXEL
Collection date	2015-11-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.757, 91.005, 141.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.285 - 2.704
R-factor	0.2086
Rwork	0.207
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyq
RMSD bond length	0.006
RMSD bond angle	1.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.080
Rpim		0.487
Number of reflections	18302
<I/σ(I)>	21.5	1.8
Completeness [%]	99.8
Redundancy	6
CC(1/2)		0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Potassium thiocyanate, 0.1 M Bis-Tris propane (pH 6.5), 20% (w/v) PEG 3350