4IMZ

Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2011-03-10
Detector	ADSC QUANTUM 315
Spacegroup name	P 65 2 2
Unit cell lengths	122.575, 122.575, 51.126
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.380 - 1.700
R-factor	0.164
Rwork	0.163
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.077	0.557
Number of reflections	25322
<I/σ(I)>	37.6	6
Completeness [%]	100.0	99.8
Redundancy		11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	293.15	0.1-0.3 M potassium thiocyanate and 25-30% polyethylene glycol monomethyl ether 2,000 , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K