7S0Y

Structures of TcdB in complex with Cdc42

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	2018-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	122.354, 140.948, 111.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.400 - 2.790
R-factor	0.21666
Rwork	0.214
R-free	0.25924
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvm
RMSD bond length	0.004
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.800	2.940
High resolution limit [Å]	2.790	2.790
Rmerge	0.063
Number of reflections	24433	3527
<I/σ(I)>	16.9	2.9
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M sodium cacodylate (pH 6.6), 2.4 M ammonium sulfate, and 2.5% (v/v) Jeffamine M-600 (pH 7.0)