8YBN

Crystal structure of nanobody SEB-Nb8 bound to staphylococcal enterotoxin B (SEB)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	44.967, 87.860, 95.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.680 - 2.180
R-factor	0.23462
Rwork	0.232
R-free	0.28083
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.680	2.290
High resolution limit [Å]	2.180	2.180
Rmerge	0.309	1.817
Rmeas	0.338	2.027
Rpim	0.137	0.890
Total number of observations	124457	15217
Number of reflections	20579	2937
<I/σ(I)>	4.4	1
Completeness [%]	100.0
Redundancy	6	5.2
CC(1/2)	0.982	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethylene glycol 8,000