6LN0

Crystal structure of three main domains of nonstructural protein 3 from Coronavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	139.922, 71.348, 64.433
Unit cell angles	90.00, 92.26, 90.00

Refinement procedure

Resolution	39.018 - 2.455
R-factor	0.2125
Rwork	0.208
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.450	5.280	2.450
Rmerge	0.140	0.081	0.985
Rmeas	0.145	0.083
Rpim	0.035	0.020	0.274
Total number of observations	372635
Number of reflections	22938	2345	2268
<I/σ(I)>	8
Completeness [%]	98.8	98	99.2
Redundancy	16.2		12.5
CC(1/2)		0.995	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 20000, imidazole, Bis-tris