7X4I

Crystal structure of nanobody aSA3 in complex with dimer SARS-CoV-1 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	190
Detector technology	PIXEL
Collection date	2021-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97911
Spacegroup name	P 21 21 21
Unit cell lengths	101.702, 112.006, 151.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.519 - 3.380
R-factor	0.2697
Rwork	0.267
R-free	0.32090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lm9 70LZ
RMSD bond length	0.005
RMSD bond angle	0.731
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	151.040	3.560
High resolution limit [Å]	3.380	3.380
Rmerge	0.200	1.334
Rmeas	0.263	1.400
Rpim		0.516
Number of reflections	24667	3528
<I/σ(I)>	8.7	2.3
Completeness [%]	99.5	99.4
Redundancy	7.03	7.47
CC(1/2)	0.995	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	20%(v/v) PEG 400, 0.1 M Lithium chloride, 0.1 M HEPES pH 7.5