3VOP

Structure of Vaccinia virus A27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	79.190, 79.190, 90.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.2123
Rwork	0.209
R-free	0.27210
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.652
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.051	0.024	0.550
Number of reflections	15074
<I/σ(I)>	18
Completeness [%]	99.3	95.8	100
Redundancy	9.3	8.3	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	295	0.1M phosphate-citrate, pH 4.5, 0.2M NaCl, 45-50% PEG 200, vapor diffusion, temperature 295K
1	VAPOR DIFFUSION	4.5	295	0.1M phosphate-citrate, pH 4.5, 0.2M NaCl, 45-50% PEG 200, vapor diffusion, temperature 295K