6BEI

Crystal structure of VACV D13 in its apo (unbound) form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	P 61 2 2
Unit cell lengths	190.820, 190.820, 254.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.940 - 2.810
R-factor	0.2
Rwork	0.198
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3SAM
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	19.940	2.880
High resolution limit [Å]	2.810	12.550	2.810
Rmerge	0.200	0.029	1.788
Rmeas	0.207	0.030	1.850
Number of reflections	66970	813	4792
<I/σ(I)>	17.17	68.98	1.79
Completeness [%]	99.8	90.6	98.4
Redundancy	15.432	12.768	15.371
CC(1/2)	0.996	1.000	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	3.5-4.0 M sodium formate and 0.1 M citric acid