7KLW

Crystal structure of synthetic nanobody (Sb45+Sb68) 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	2020-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	74.497, 102.403, 138.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.220 - 2.600
R-factor	0.21
Rwork	0.206
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kgj
RMSD bond length	0.004
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.220	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.095	0.739
Rpim	0.038	0.287
Number of reflections	16508	1627
<I/σ(I)>	13.1	2.1
Completeness [%]	98.8	98.7
Redundancy	7.2	7.4
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10% PEG 8000, 0.1M Sodium Cacodylate pH 6.0