7U2P

Structure of TcdA GTD in complex with RhoA

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	2021-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	114.641, 122.798, 127.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.799 - 2.596
Rwork	0.215
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftn 3srz
RMSD bond length	0.004
RMSD bond angle	1.109
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]	83.799	2.690
High resolution limit [Å]	2.596	2.600
Rmerge	0.100	0.902
Number of reflections	27633	2667
<I/σ(I)>	10.79
Completeness [%]	98.5
Redundancy	3.8
CC(1/2)	0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium sulfate, 0.1 M MES, pH 5.9, and 10% (w/v) PEG 8000