6XC7

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.3 and CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	110.873, 110.873, 228.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.250 - 2.883
R-factor	0.2209
Rwork	0.219
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yla 4tsa 4zd3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.970
High resolution limit [Å]	2.880	7.150	2.880
Rmerge	0.129	0.042	1.616
Rmeas	0.134	0.044	1.683
Rpim	0.036	0.012	0.467
Number of reflections	32939	2407	2170
<I/σ(I)>	5.7
Completeness [%]	99.9	99.1	100
Redundancy	13.6	12.4	12.6
CC(1/2)		0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1M Tris pH 8 15% ethylene glycol 1M lithium chloride 10% PEG 6000