7S0Z

Structures of TcdB in complex with R-Ras

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	2020-12-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	76.308, 112.112, 101.571
Unit cell angles	90.00, 95.89, 90.00

Refinement procedure

Resolution	76.020 - 2.340
R-factor	0.203
Rwork	0.201
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oq7 2fn4
RMSD bond length	0.005
RMSD bond angle	1.230
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]	112.110	2.390
High resolution limit [Å]	2.340	2.340
Rmerge	0.085
Number of reflections	70923	4599
<I/σ(I)>	9.6
Completeness [%]	98.9
Redundancy	3.4
CC(1/2)	0.993	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M ammonium acetate, 0.1M sodium citrate tribasic dihydrate, pH 4.8, and 17% PEG 4000