7QIK

SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma

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	2021-11-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	47.438, 111.274, 115.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.180 - 2.010
R-factor	0.2011
Rwork	0.200
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lu2
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.600	2.120
High resolution limit [Å]	2.010	2.010
Number of reflections	39958	4740
<I/σ(I)>	11.2	1.3
Completeness [%]	96.6	80.8
Redundancy	10.5
CC(1/2)	0.998	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaBr, 100 mM BisTris propane pH 7.5, 20% PEG 3350