7WUE

Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-08
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	110.460, 258.120, 141.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 3.200
R-factor	0.2316
Rwork	0.228
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c01
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.910	48.910	3.360
High resolution limit [Å]	3.200	10.610	3.200
Rmerge	0.182	0.037	0.685
Rmeas	0.214	0.045	0.806
Rpim	0.110	0.024	0.417
Total number of observations	114117	3107	14949
Number of reflections	33348	963	4372
<I/σ(I)>	5.7	18.3	1.6
Completeness [%]	99.3	96.2	99.3
Redundancy	3.4	3.2	3.4
CC(1/2)	0.983	0.995	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	2.0 M Ammonia sulfate, 0.1M sodium acetate pH 4.6