7NEH

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab

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	2021-02-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	82.812, 149.712, 145.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.740 - 1.770
R-factor	0.1887
Rwork	0.188
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bem
RMSD bond length	0.003
RMSD bond angle	0.648
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	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.091
Rpim	0.025
Number of reflections	88349	4396
<I/σ(I)>	14	0.3
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	1.000	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.09 M NPS, 0.1 M sodium HEPES and MOPS, 30% EDO_P8K