2HWK

Crystal Structure of Venezuelan Equine Encephalitis Alphavirus nsP2 Protease Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-02
Detector	MAR CCD 165 mm
Wavelength(s)	1.3808
Spacegroup name	P 21 21 21
Unit cell lengths	47.470, 72.580, 106.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.370 - 2.450
R-factor	0.208
Rwork	0.192
R-free	0.24200
Structure solution method	MIR
Starting model (for MR)	None
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.370	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.094
Number of reflections	14092
<I/σ(I)>	14.2
Completeness [%]	99.7	98.6
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	3.0 M Ammonium Formate, 2% 2-Methyl-2, 4-pentanediol, 1% glycerol, 200 uM Zinc Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K