7ORB

Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs

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	2021-04-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 1 21 1
Unit cell lengths	93.239, 149.425, 115.040
Unit cell angles	90.00, 92.03, 90.00

Refinement procedure

Resolution	73.670 - 2.500
R-factor	0.2148
Rwork	0.213
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ben
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.000	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.300
Rpim	0.058
Number of reflections	108845	5144
<I/σ(I)>	5.6	0.4
Completeness [%]	99.8
Redundancy	28.1
CC(1/2)	0.993	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-TRIS pH 6.5 and 16% (w/v) PEG 10000