6OQ6

Structure of the pore forming fragment of Clostridium difficile toxin B in complex with VHH 5D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 61 2 2
Unit cell lengths	169.820, 169.820, 79.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	147.070 - 2.970
R-factor	0.25973
Rwork	0.259
R-free	0.27381
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oq5
RMSD bond length	0.003
RMSD bond angle	1.216
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.070	3.140
High resolution limit [Å]	2.970	2.970
Rmerge		1.373
Number of reflections	14517	2286
<I/σ(I)>	12.5
Completeness [%]	99.9
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris, pH 8.5, 0.2 M lithium sulfate, 18% PEG 4000