7N7U

Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7

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)	0.91256
Spacegroup name	P 63
Unit cell lengths	150.053, 150.053, 110.515
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.970 - 2.060
R-factor	0.2232
Rwork	0.222
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x1b
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	129.642	129.642	2.097
High resolution limit [Å]	1.960	6.082	1.969
Rmerge	0.188	0.080	1.608
Rmeas	0.198	0.084	1.699
Rpim	0.062	0.026	0.544
Total number of observations		35148	33484
Number of reflections	100329	3466	3471
<I/σ(I)>	8.5	22.4	1.6
Completeness [%]	94.3	100	73.8
Redundancy	10.2	10.1	9.6
CC(1/2)	0.994	0.990	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	'0.1 M Na3 Citrate pH 5,14% w/v PEG6000