5SBF

PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9127
Spacegroup name	P 63
Unit cell lengths	149.997, 149.997, 111.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	129.980 - 1.640
R-factor	0.1887
Rwork	0.188
R-free	0.21110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6x1b
RMSD bond length	0.014
RMSD bond angle	1.767
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	130.310	130.310	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.090	0.036	2.458
Number of reflections	1560712
<I/σ(I)>	12.2	63.8	0.4
Completeness [%]	99.9	100	98.7
CC(1/2)	1.000	1.000	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	0.1 M Na3 Citrate pH 5,14% w/v PEG6000