8DUF

Crystal structure of Venezuelan Equine Encephalitis alphavirus (VEEV) nonstructural protein 2 (nsp2) (K741A/K767A) protease domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	45.186, 46.165, 175.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.194 - 1.460
R-factor	0.1556
Rwork	0.153
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hwk
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.090	1.530
Rpim	0.039	0.662
Number of reflections	64078	3040
<I/σ(I)>	31.7	2
Completeness [%]	98.6
Redundancy	5.9
CC(1/2)	0.994	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.2 M sodium formate, 10% v/v glycerol