7L7E

Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	97.152, 152.525, 199.244
Unit cell angles	90.00, 94.74, 90.00

Refinement procedure

Resolution	34.780 - 3.000
R-factor	0.2182
Rwork	0.215
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 6XC2 & 5JRP
RMSD bond length	0.002
RMSD bond angle	0.598
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.210	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.231	0.810
Number of reflections	115751	16908
<I/σ(I)>	6.4
Completeness [%]	99.9
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	5% PEG1000, 40% reagent alcohol, 0.1 M sodium phosphate dibasic/citric acid, pH 4.2