7NBV

Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV)

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	2018-02-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 21 3
Unit cell lengths	73.788, 73.788, 73.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.600 - 1.870
R-factor	0.1872
Rwork	0.185
R-free	0.23020
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.890
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	SHARP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.590	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.113	1.191
Rpim	0.026	0.273
Number of reflections	22710	1644
<I/σ(I)>	16.8	2.8
Completeness [%]	100.0	100
Redundancy	19	19.8
CC(1/2)	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2A protein was concentrated to 4.38 mg/mL in 50 mM Tris (HCl) pH 7.4, 1.1 M NaCl, 1.0 mM DTT. 200 nL protein was mixed with 200 nL reservoir solution comprising 0.2 M KBr, 0.2 M potassium thiocyanate, 0.1 M sodium cacodylate pH 6.5, 3 % w/v poly-gamma-glutamic acid 200-400 and 10 % w/v PEG-MME 2000