4IMQ

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	2011-03-11
Detector	ADSC QUANTUM 315
Spacegroup name	P 65 2 2
Unit cell lengths	122.396, 122.396, 51.354
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.590 - 1.500
R-factor	0.171
Rwork	0.170
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyq
RMSD bond length	0.020
RMSD bond angle	1.639
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	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.069
Number of reflections	36665
Completeness [%]	99.9	99.9
Redundancy	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	293	0.1-0.3 M potassium, thiocyanate and 25-30%, polyethylene glycol, monomethyl ether 2,000 , pH 7, temperature 293K