2FYR

Crystal Structure of Norwalk Virus Protease grown in the presence of AEBSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794
Spacegroup name	P 65 2 2
Unit cell lengths	120.490, 120.490, 51.249
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.211
Rwork	0.211
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.250
Data scaling software	d*TREK (9.4LDz)
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	2.280
High resolution limit [Å]	2.200	2.200
Rmerge		0.326
Number of reflections	11542
<I/σ(I)>		5.9
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	0.2M magnesium chloride, 0.1M bis-tris, 30% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50