4A92

Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-10
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	91.972, 110.470, 137.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.400 - 2.730
R-factor	0.1807
Rwork	0.178
R-free	0.23050
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.9.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.400	2.810
High resolution limit [Å]	2.730	2.730
Rmerge	0.090	0.460
Number of reflections	37797
<I/σ(I)>	17.2	4.6
Completeness [%]	99.8	100
Redundancy	4.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		PROTEIN AT 8.75 MG/ML IN 25MM TRIS PH 7.5, 10% GLYCEROL, 1M NACL, 1MM TCEP, 0.1% BETA-OCTYL-GLUCOSIDE; HANGING DROP VAPOR DIFFUSION. RESERVOIR: 20% PME2000, 200 MM NA THIOCYANATE; MICRO-SEEDED (SEED-BEAD).