8YBP

Crystal structure of nanobody SEB-Nb20 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	2023-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	48.934, 98.159, 115.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.720 - 2.080
R-factor	0.22178
Rwork	0.220
R-free	0.25308
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]	74.720	2.200
High resolution limit [Å]	2.080	2.080
Rmerge	0.154	4.054
Rmeas	0.160	4.216
Rpim	0.044	1.148
Total number of observations	441925	64763
Number of reflections	33997	4909
<I/σ(I)>	10.7	0.8
Completeness [%]	100.0
Redundancy	13	13.2
CC(1/2)	0.998	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Magnesium sulfate heptahydrate, 20% w/v Polyethylene glycol 3,350