7PHY

Vaccinia virus E2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	77.167, 90.925, 147.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.520 - 2.300
R-factor	0.1943
Rwork	0.192
R-free	0.23700
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	0.866
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	CRANK2
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.170	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	2.422
Rmeas	0.077	2.526
Rpim	0.021	0.708
Number of reflections	46847	2338
<I/σ(I)>	19	0.6
Completeness [%]	100.0	100
Redundancy	13.2	12.4
CC(1/2)	1.000	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 nL of 9.7 mg/mL VACV E2 was mixed with 90 nL of reservoir, 100 mM ADA (1:1 mix of ADA pH 6.5 and 7.0), 10% MPD, and equilibrated against an 80 uL reservoir at 20C.