6BEB

Crystal structure of VACV D13 in complex with Rifamycin SV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000020
Spacegroup name	P 61 2 2
Unit cell lengths	188.190, 188.190, 260.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.300 - 2.550
R-factor	0.192
Rwork	0.191
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3SAM
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.300	46.300	2.620
High resolution limit [Å]	2.550	11.400	2.550
Rmerge	0.097	0.026	1.350
Rmeas	0.099	0.027	1.390
Number of reflections	88508	1144	6359
<I/σ(I)>	28.66	97.09	2.35
Completeness [%]	99.9	97.9	98.8
Redundancy	19.847	17.791	17.653
CC(1/2)	1.000	1.000	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	1.7 - 2.2 M sodium formate and 0.1 M citric acid