7N7R

Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267

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	150.014, 150.014, 111.042
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.290 - 2.010
R-factor	0.2181
Rwork	0.217
R-free	0.23970
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	Outer shell
Low resolution limit [Å]	84.410	1.957
High resolution limit [Å]	1.900	1.923
Number of reflections	107127	5310
<I/σ(I)>	7.1
Completeness [%]	100.0
Redundancy	10.3
CC(1/2)	0.998	0.155

Crystallization Conditions

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