7U1Z

Crystal structure of the DRBD and CROPs of TcdA

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	2019-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	379.507, 187.641, 95.324
Unit cell angles	90.00, 101.30, 90.00

Refinement procedure

Resolution	186.080 - 3.180
R-factor	0.2091
Rwork	0.207
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r04 4np4 2g7c
RMSD bond length	0.011
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	186.100	3.290
High resolution limit [Å]	3.180	3.180
Rmerge	0.283	1.140
Number of reflections	108739	10768
<I/σ(I)>	4.43
Completeness [%]	99.1
Redundancy	3.5
CC(1/2)	0.944	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Bis-Tris pH 6.3, 0.6 M lithium sulfate