7URS

Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	194.467, 86.626, 57.718
Unit cell angles	90.00, 99.85, 90.00

Refinement procedure

Resolution	41.050 - 2.400
R-factor	0.1808
Rwork	0.178
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s4s
RMSD bond length	0.010
RMSD bond angle	1.156
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.126	0.380
Rpim	0.081	0.294
Number of reflections	34224	1302
<I/σ(I)>	17.5	2.05
Completeness [%]	92.3	72
Redundancy	3	1.9
CC(1/2)	0.970	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	12% PEG 8000 0.1 M sodium phosphate pH 6.5