8J6X

Crystal structure of SARS-CoV2 N-NTD complexed with 5-Benzyloxygramine derivative (P3-8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-28
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	58.722, 92.859, 97.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.910 - 2.700
R-factor	0.2359
Rwork	0.231
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.592
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.075	0.428
Number of reflections	15467	1500
<I/σ(I)>	21.18	4.743
Completeness [%]	99.8
Redundancy	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	spermine tetrahydrochloride, potassium chloride, Bis-Tris HCl (pH 7.0), PEG 3350