6ZSL

Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution

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	2020-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9126
Spacegroup name	P 1
Unit cell lengths	59.151, 70.120, 84.558
Unit cell angles	102.47, 95.65, 112.79

Refinement procedure

Resolution	57.560 - 1.940
R-factor	0.2115
Rwork	0.209
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jyt
RMSD bond length	0.005
RMSD bond angle	0.755
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.120	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.053	0.904
Rpim	0.034	0.612
Number of reflections	86341	4418
<I/σ(I)>	11.1	1.1
Completeness [%]	97.3	97.2
Redundancy	3.5
CC(1/2)	0.998	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	16 % Ethylene Glycol, 8 % PEG 8000, 0.03M Sodium nitrate, 0.03 Sodium phosphate dibasic, 0.03M Ammonium sulfate, 0.05 M Na HEPES, 0.05 M MOPS