7QNY

The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 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	2021-06-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 31 2 1
Unit cell lengths	72.762, 72.762, 416.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.370 - 2.840
R-factor	0.2292
Rwork	0.226
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bei
RMSD bond length	0.002
RMSD bond angle	0.494
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]	104.000	2.890
High resolution limit [Å]	2.840	2.840
Rmerge	0.290
Rpim	0.071	0.737
Number of reflections	31718	1548
<I/σ(I)>	5	0.3
Completeness [%]	100.0	100
Redundancy	17.9
CC(1/2)	0.996	0.285

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate tribasic, pH 5.5 and 20% (w/v) PEG 4000