6BEG

Crystal structure of VACV D13 F486A mutant

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	2014-03-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	P 61 2 2
Unit cell lengths	191.800, 191.800, 254.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.920 - 3.100
R-factor	0.204
Rwork	0.203
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3SAM
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.920	29.920	3.170
High resolution limit [Å]	3.090	13.810	3.090
Rmerge	0.194	0.046	1.297
Rmeas	0.205	0.049	1.375
Number of reflections	50788	650	3440
<I/σ(I)>	10.75	25.32	1.87
Completeness [%]	99.1	94.2	92.6
Redundancy	8.408	7.249	8.007
CC(1/2)	0.995	0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	298	3.5-4.0 M sodium formate and 0.1 M citric acid