7TTM

Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat SHC014 receptor-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	110
Detector technology	PIXEL
Collection date	2021-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979110
Spacegroup name	P 1 21 1
Unit cell lengths	72.433, 69.217, 81.853
Unit cell angles	90.00, 103.63, 90.00

Refinement procedure

Resolution	79.360 - 2.240
R-factor	0.2041
Rwork	0.201
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sd5
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.500	2.720	2.320
High resolution limit [Å]	2.240	2.600	2.240
Rmerge	0.182	1.873	0.106
Rmeas	0.218	2.036	0.115
Rpim	0.083	0.786	0.043
Number of reflections	37400	2656	613
<I/σ(I)>	6.4
Completeness [%]	98.6	91	99.4
Redundancy	6.7	6.3	6.6
CC(1/2)	0.990	0.315	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M sodium citrate, pH 5.2, 28% PEG4000, 0.2 M ammonium acetate