8X3V

Crystal structure of 2C from encephalomyocarditis virus bound with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9788
Spacegroup name	P 65 2 2
Unit cell lengths	171.000, 171.000, 77.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.360 - 2.900
R-factor	0.229
Rwork	0.224
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.138
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.900	2.900
Rmerge	0.186	0.952
Rmeas	0.189	0.866
Number of reflections	15238	1108
<I/σ(I)>	21.2	1.9
Completeness [%]	99.9	100
Redundancy	38.5	38.9
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% PEG400, 0.2 M Sodium citrate tribasic, 0.1 M Tris