4D5R

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	2013-05-19
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 1 21 1
Unit cell lengths	56.850, 42.740, 67.190
Unit cell angles	90.00, 100.51, 90.00

Refinement procedure

Resolution	33.030 - 1.900
R-factor	0.18735
Rwork	0.185
R-free	0.22640
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.018
RMSD bond angle	1.749
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.040	1.150
Number of reflections	25211
<I/σ(I)>	32.2	2.9
Completeness [%]	99.6	99
Redundancy	14.1	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	CRYSTALS WERE GROWN BY MIXING 2 UL PROTEIN (20-21 MG/ML) WITH 2 UL RESERVOIR SOLUTION AND EQUILIBRATING AT 20 C AGAINST 500 UL RESERVOIRS CONTAINING 1.3- 1.5 M SODIUM MALONATE PH 6.8, 1% (VOL/VOL) PEG 400 AND 4-10% (VOL/VOL) GLYCEROL, THE BEST CRYSTALS BEING OBTAINED WHEN THE RESERVOIR WAS OVERLAID WITH 100 UL OF A 1:1 MIXTURE OF PARAFFIN AND SILICONE OIL (MOLECULAR DIMENSIONS). CRYSTALS WERE CRYOPROTECTED BY BRIEF IMMERSION IN 2.1 M SODIUM MALONATE, 1% (VOL/VOL) PEG 400 AND 5% (VOL/VOL) GLYCEROL.