2GGV

Crystal structure of the West Nile virus NS2B-NS3 protease, His51Ala mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 64
Unit cell lengths	56.745, 56.745, 103.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.150 - 1.800
R-factor	0.193
Rwork	0.191
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.426
Data reduction software	MOSFLM
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.600
Number of reflections	17285
<I/σ(I)>	7.7	1.2
Completeness [%]	98.0	98
Redundancy	7.6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	30% PEG 1500, 0.1M TRIS, 0.2M lithium cloride, 2mM mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	30% PEG 1500, 0.1M TRIS, 0.2M lithium cloride, 2mM mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K