8YBM

Crystal structure of nanobody SEB-Nb6 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	48.199, 85.588, 176.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.250 - 2.040
R-factor	0.21524
Rwork	0.213
R-free	0.25891
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]	88.250	2.150
High resolution limit [Å]	2.040	2.040
Rmerge	0.300	2.387
Rmeas	0.323	2.574
Rpim	0.120	0.953
Total number of observations	352444	51512
Number of reflections	47585	6805
<I/σ(I)>	7.3	1.5
Completeness [%]	99.8
Redundancy	7.4	7.6
CC(1/2)	0.983	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	2% v/v 1,4-Dioxane, 0.1 M Tris pH 8.0, 15% w/v Polyethylene glycol 3,350