7VOA

Crystal structure of SARS-CoV-2 RBD in complex with aRBD5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	190
Detector technology	PIXEL
Collection date	2021-05-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	53.440, 87.700, 89.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.822 - 1.800
R-factor	0.1884
Rwork	0.186
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
RMSD bond length	0.016
RMSD bond angle	1.356
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.822	45.822	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.102	0.068	2.424
Rmeas	0.107	0.072	2.525
Total number of observations	500053
Number of reflections	38650	507	2755
<I/σ(I)>	13.34	33.63	1.17
Completeness [%]	97.8	98.4	95.4
Redundancy	12.938	10.679	12.642
CC(1/2)	0.998	0.995	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	0.1M Sodium cacodylate pH 5.5, 25%(w/v) PEG 4000