7BEJ

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1)

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	2020-09-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	53.172, 232.320, 135.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.360 - 2.420
R-factor	0.1918
Rwork	0.190
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zcz
RMSD bond length	0.003
RMSD bond angle	0.613
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.400	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.250
Rpim	0.051
Number of reflections	32012	1343
<I/σ(I)>	7.6	0.4
Completeness [%]	98.5
Redundancy	23.7
CC(1/2)	0.993	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	containing 3.5 M NaCOOH pH 7.0