6Z2M

H11-D4, SARS-CoV-2 RBD, CR3022 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	149.717, 150.395, 119.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.860 - 2.710
R-factor	0.2004
Rwork	0.198
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yz7
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.100	2.760
High resolution limit [Å]	2.710	2.710
Rmerge	0.231
Rpim	0.065	3.953
Number of reflections	73071	3426
<I/σ(I)>	7.4	0.2
Completeness [%]	99.0	94
Redundancy	13.2	9
CC(1/2)	0.997	0.087

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Purified RBD, Fab CR3022 and nanobody H11-D4 were mixed together at a molar ratio of 1:1:1 to a final concentration of approximately 7 mg/ml and incubated at room temperature for one hour. Initial screening was performed in 96-well plates using the nanolitre sitting-drop vapour diffusion method. The best crystals were grown in condition containing 0.1 M sodium citrate tribasic dihydrate, pH 5.0, 10% (w/v) Polyethylene glycol 6000.