2QV1

Crystal structure of HCV NS3-4A V36M mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-02
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	228.760, 228.760, 75.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.760 - 2.400
Rwork	0.228
R-free	0.26500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	HCV NS3-4A wild type protease
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX (2005)
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.052	0.052
Number of reflections	26385
<I/σ(I)>	16.5	16.5
Completeness [%]	91.2	91.2
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	1.4M NaCl, 0.3M KH2PO4, 0.1M MES,10.0mM PME, protein concentration 8mg/ml, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K