4D5S

Structure of A49 from Vaccinia Virus Western Reserve

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-12
Detector	ADSC QUANTUM 4
Spacegroup name	P 43 21 2
Unit cell lengths	67.783, 67.783, 153.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	153.950 - 3.000
R-factor	0.22215
Rwork	0.220
R-free	0.27332
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d5r
RMSD bond length	0.012
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.100
Number of reflections	7353
<I/σ(I)>	17.5	2.2
Completeness [%]	100.0	100
Redundancy	13.8	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			294	FULL-LENGTH A49 (100 NL AT 9.5 MG/ML) WAS MIXED WITH 100 NL RESERVOIR SOLUTION AND EQUILIBRATED AT 21 C AGAINST 95 UL RESERVOIRS COMPRISING 25% (WT/VOL) PEG 3350, 0.2 M AMMONIUM SULFATE AND 0.1 M TRIS PH 9.5. CRYOPROTECTION WAS ACHIEVED BY QUICKLY SWEEPING THE CRYSTAL THROUGH RESERVOIR SUPPLEMENTED WITH 20% (VOL/VOL) GLYCEROL.