7IMJ

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 Z2527301677 (Nprot-x0403)

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	2020-08-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.91261
Spacegroup name	I 41
Unit cell lengths	88.214, 88.214, 41.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.150 - 1.640
R-factor	0.19631
Rwork	0.193
R-free	0.24979
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yun
RMSD bond length	0.009
RMSD bond angle	1.467
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]	44.107	1.754
High resolution limit [Å]	1.638	1.638
Rmerge	0.065	0.825
Rmeas	0.071	0.926
Rpim	0.028	0.414
Total number of observations	69855	2673
Number of reflections	10852	549
<I/σ(I)>	9.3	1.5
Completeness [%]	55.2
Redundancy	6.4	4.9

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