6SUP

Crystal Structure of TcdB2-TccC3-Cdc42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.979580
Spacegroup name	P 21 21 21
Unit cell lengths	96.350, 156.550, 179.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.170 - 2.000
Rwork	0.287
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o9x
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Data scaling software	XSCALE (VERSION Mar 15, 2019 BUILT=20190315)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	182401	18014
<I/σ(I)>	13.81	1.46
Completeness [%]	99.9
Redundancy	22
CC(1/2)	0.998	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.1 M sodium chloride, 0.1 M magnesium chloride, 0.1 M tri-sodium citrate pH 5.5, 12 % PEG 4000 Seeding: 0.1 M magnesium chloride, 0.1 M tri-sodium acetate pH 4.6, 12 % PEG 6000