7SO5

Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978720
Spacegroup name	P 1 21 1
Unit cell lengths	61.167, 110.722, 83.060
Unit cell angles	90.00, 99.33, 90.00

Refinement procedure

Resolution	52.867 - 1.797
R-factor	0.1869
Rwork	0.185
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvl
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.880	1.890
High resolution limit [Å]	1.790	1.790
Number of reflections	95088	14702
<I/σ(I)>	14.9
Completeness [%]	93.9
Redundancy	3.7
CC(1/2)	0.998	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M TRIS pH 8.2 and 39% polyethylene glycol 400