1ZH1

Structure of the zinc-binding domain of HCV NS5A

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-14
Detector	MARRESEARCH
Wavelength(s)	1.27069, 1.28385, 1.28345
Spacegroup name	P 41 2 2
Unit cell lengths	55.280, 55.280, 312.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.225 *
Rwork	0.227
R-free	0.28600
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	26.740 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.087 *	0.274
Total number of observations	314341 *
Number of reflections	18007
<I/σ(I)>	35.6	5.7
Completeness [%]	100.0	100
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	4 *	isopropanol, trisodium citrate, non-detergent sulphobetaine 201, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	100 (mM)
2	1	reservoir	tri-sodium citrate dihydrate	0.6 (M)
3	1	reservoir	isopropanol	13 (%(v/v))
4	1	drop	protein	26 (mg/ml)
5	1	drop	Tris-HCl	25 (mM)
6	1	drop		175 (mM)
7	1	drop	glycerol	20 (%(v/v))