7URQ

Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1

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	P 21 2 21
Unit cell lengths	85.818, 103.551, 112.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.230 - 2.050
R-factor	0.1789
Rwork	0.177
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s4s
RMSD bond length	0.008
RMSD bond angle	1.010
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	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.128	0.827
Rpim	0.056	0.467
Number of reflections	59785	2350
<I/σ(I)>	19.9	1.3
Completeness [%]	93.3	74.8
Redundancy	5.6	3.4
CC(1/2)	0.986	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	10% PEG 4000 0.2 M sodium acetate 0.1 M sodium citrate pH 5.5