7U8E

Crystal structure of antibody Ab246 in complex with SARS-CoV-2 receptor binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	194.797, 41.603, 98.991
Unit cell angles	90.00, 107.03, 90.00

Refinement procedure

Resolution	19.899 - 2.290
R-factor	0.2062
Rwork	0.204
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h0e
RMSD bond length	0.004
RMSD bond angle	0.677
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.290	2.290
Rmeas	0.148
Rpim	0.080
Number of reflections	33571	3156
<I/σ(I)>	9.78
Completeness [%]	96.3	91
Redundancy	3.2
CC(1/2)	0.980	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	291	0.1 M Sodium acetate trihydrate pH 4.6, 2.0 M Ammonium sulfate