8T8N

Venezuelan Equine Encephalitis Virus (VEEV) Nonstructural Protein 2 (nsP2) Cysteine Protease Inhibited with CA074

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	150
Detector technology	CCD
Collection date	2015-12-15
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	60.762, 63.582, 86.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.186 - 2.320
Rwork	0.190
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.229
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.580	2.420
High resolution limit [Å]	2.320	2.320
Rmerge	0.131	0.436
Number of reflections	14251	1625
<I/σ(I)>	18.03	6.08
Completeness [%]	94.6	92.8
Redundancy	13.35	12.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	Modified JCSG+ Condition 8 (0.2 M Ammonium formate, 20% w/v PEG3350, 20% glycerol). Protein buffer contained 50 mM HEPES pH 7.0, 0.5 mM CA074, and 30 mM CaCl2