8WEO

Bacteroides fragilis toxin in complex with neutralization nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 65
Unit cell lengths	121.678, 121.678, 84.143
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.420 - 1.500
R-factor	0.1717
Rwork	0.171
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.420	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	222554	11227
<I/σ(I)>	21.14
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	1.000	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 25% w/v Polyethylene glycol 4,000