2HD0

Structure of the catalytic domain of hepatitis C virus NS2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	93
Detector technology	CCD
Collection date	2004-11-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.97927
Spacegroup name	P 1 21 1
Unit cell lengths	109.812, 68.819, 125.162
Unit cell angles	90.00, 105.88, 90.00

Refinement procedure

Resolution	30.000 - 2.280
Rwork	0.226
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.360
High resolution limit [Å]	2.280	2.280
Number of reflections	75215
<I/σ(I)>	13.1
Completeness [%]	99.6	96.4
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris pH 8.5 0.8 M Ammonium Acetate 0.25 M Lithium Chloride 12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris pH 8.5 0.8 M Ammonium Acetate 0.25 M Lithium Chloride 12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris pH 8.5 0.8 M Ammonium Acetate 0.25 M Lithium Chloride 12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K