7ILW

Group deposition for crystallographic fragment screening of SARS-CoV-2 nucleocapsid protein (CTD) -- Crystal Structure of SARS-CoV-2 nucleocapsid protein (CTD) in complex with Z907784200 (Nprot-x0249)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.91259
Spacegroup name	I 41
Unit cell lengths	88.397, 88.397, 41.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.280 - 1.560
R-factor	0.19432
Rwork	0.192
R-free	0.24102
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yun
RMSD bond length	0.008
RMSD bond angle	1.495
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.255	1.713
High resolution limit [Å]	1.562	1.562
Rmerge	0.063	0.759
Rmeas	0.069	0.858
Rpim	0.028	0.385
Total number of observations	64688	2210
Number of reflections	10458	524
<I/σ(I)>	12.8	1.4
Completeness [%]	46.1
Redundancy	6.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	298	0.1 M HEPES, pH 7.8, 10 % isopropanol, 23 % PEG4000