4D5T

Structure of N-terminally truncated A49 from Vaccinia Virus Western Reserve

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-02
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 1 21 1
Unit cell lengths	92.290, 45.630, 160.260
Unit cell angles	90.00, 98.74, 90.00

Refinement procedure

Resolution	45.710 - 1.840
R-factor	0.20801
Rwork	0.206
R-free	0.23888
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d5r
RMSD bond length	0.017
RMSD bond angle	1.689
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.070	1.160
Number of reflections	112855
<I/σ(I)>	13.6	1.5
Completeness [%]	97.9	96
Redundancy	6.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	PROTEIN (1 UL AT 25.0 MG/ML) WAS MIXED WITH 1 UL RESERVOIR SOLUTION AND EQUILIBRATED AT 20 C AGAINST 500 UL RESERVOIRS CONTAINING 0.1 M HEPES PH 7.5, 1.6 M AMMONIUM SULFATE AND 1.5% (VOL/VOL) PEG 400. CRYSTALS WERE CRYOPROTECTED BY PASSAGE THROUGH 2 UL OF PERFLUOROPOLYETHER OIL (HAMPTON RESEARCH) THAT HAD BEEN OVERLAID ONTO THE MOTHER LIQUOR.