7NN0

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

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	2020-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9126
Spacegroup name	C 1 2 1
Unit cell lengths	324.886, 59.500, 132.379
Unit cell angles	90.00, 93.89, 90.00

Refinement procedure

Resolution	81.030 - 3.040
R-factor	0.2458
Rwork	0.244
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zsl
RMSD bond length	0.004
RMSD bond angle	0.850
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.030	3.090
High resolution limit [Å]	3.040	3.040
Rmerge	0.258	1.390
Number of reflections	48372	2343
<I/σ(I)>	6.1	1.2
Completeness [%]	97.7
Redundancy	3.4
CC(1/2)	0.978	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % Ethylene Glycol, 10 % PEG 8K, 0.05 M MES pH 6.5, 0.05 M Imidazole pH 6.5, 10% v/v Alcohols mix