9JDD

Crystal structure of the type VI secretion system effector-immunity complex BtaeB CTD-BtaiB from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	117.385, 117.385, 141.493
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.560 - 1.900
R-factor	0.1611
Rwork	0.160
R-free	0.19060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.432
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.560	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	44681	4267
<I/σ(I)>	22.4
Completeness [%]	97.5
Redundancy	6.1
CC(1/2)	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.05 M BIS-TRIS (PH=5,9), 0.05 M (NH4)2SO4, 28% Pentaerythritol ethoxylate (15/4 EO/OH)