3GQO

Crystal structure of macro domain of Venezuelan Equine Encephalitis virus in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-01-29
Detector	MAR555 FLAT PANEL
Spacegroup name	P 21 21 21
Unit cell lengths	74.000, 87.200, 105.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.740 - 2.600
R-factor	0.199
Rwork	0.195
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gqe
RMSD bond length	0.010
RMSD bond angle	1.433
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.104	0.497
Number of reflections	20549
<I/σ(I)>		4.72
Completeness [%]	99.2	89.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	293	0.2M AmSO4, 0.1 M Na Cacodylate, 30 % PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K