7KGJ

Crystal structure of synthetic nanobody (Sb45) complexes with SARS-CoV-2 receptor binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	62.552, 62.552, 168.815
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.590 - 2.300
R-factor	0.1874
Rwork	0.186
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.005
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.590	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.101	0.849
Rpim	0.038	0.293
Number of reflections	17592	1687
<I/σ(I)>	14.9	3.4
Completeness [%]	99.9	98.3
Redundancy	7.9	8.2
CC(1/2)	0.997	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	12% PEG 8000, 0.1M Hepes pH 7.5, 0.2M NaCl