7LUX

AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	44.460, 9.540, 10.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.230 - 1.303
Rwork	0.195
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ideal beta strand AAAAA
RMSD bond length	0.006
RMSD bond angle	1.179
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.230	22.230	1.360
High resolution limit [Å]	1.300	4.510	1.300
Rmerge	0.105	0.065	0.808
Rmeas	0.121	0.075	0.922
Number of reflections	1234	35	139
<I/σ(I)>	5.94	13.6	1.8
Completeness [%]	93.0	81.4	84.8
Redundancy	3.781	3.171	3.957
CC(1/2)	0.997	0.997	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	polyethylene glycol 3000, CHES, pH 9.5