7B62

Crystal structure of SARS-CoV-2 spike protein N-terminal domain in complex with biliverdin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	98.070, 100.190, 85.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.090 - 1.820
R-factor	0.1657
Rwork	0.164
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zge
RMSD bond length	0.010
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.100	1.870
High resolution limit [Å]	1.820	1.820
Rmerge	0.166	2.407
Rpim	0.048	0.721
Number of reflections	38068	2758
<I/σ(I)>	12.4	1.1
Completeness [%]	99.4
Redundancy	13.4
CC(1/2)	0.999	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	24% PEG 3350 (w/v) and 0.25 M NaSCN