7NNG

Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104

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	2020-07-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9126
Spacegroup name	P 1
Unit cell lengths	59.205, 70.353, 85.499
Unit cell angles	103.16, 96.10, 112.04

Refinement procedure

Resolution	81.350 - 2.380
R-factor	0.2474
Rwork	0.245
R-free	0.29480
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.350	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.163
Number of reflections	47221	6757
<I/σ(I)>	4.1	0.2
Completeness [%]	96.6	91.7
Redundancy	3.4
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16 % Ethylene Glycol, 8 % PEG 8K, 0.05 M HEPES, 0.05 M MOPS, 0.03 M Sodium Nitrate, 0,03 M Sodium Phosphate, 0.03 M Ammonium Sulphate