9ZDU

Crystal structure of SARS-CoV-2 RBD in complex with human Ab401 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0358
Spacegroup name	P 43 21 2
Unit cell lengths	83.612, 83.612, 217.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 2.600
R-factor	0.2219
Rwork	0.219
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.480
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.840	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.176	1.973
Rmeas	0.190	2.145
Rpim	0.072	0.834
Number of reflections	45462	3170
<I/σ(I)>	8.8	0.81
Completeness [%]	99.7	97.4
Redundancy	6.9	6.3
CC(1/2)	0.995	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Ammonium phosphate monobasic 20% PEG 3350