7VFB

the complex of SARS-CoV2 3cl and NB2B4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	97
Detector technology	PIXEL
Collection date	2021-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	254.605, 33.492, 48.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.210 - 2.000
R-factor	0.2369
Rwork	0.235
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lu7
RMSD bond length	0.004
RMSD bond angle	0.604
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.210	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	28381	2311
<I/σ(I)>	2
Completeness [%]	96.5
Redundancy	9.9
CC(1/2)	0.990	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG6000, potassium phosphate