6GKW

Crystal structure of the R-type bacteriocin sheath protein CD1363 from Clostridium difficile in the pre-assembled state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	75.935, 47.878, 112.500
Unit cell angles	90.00, 92.25, 90.00

Refinement procedure

Resolution	38.352 - 1.900
R-factor	0.2149
Rwork	0.213
R-free	0.24850
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	AutoSol
Refinement software	PHENIX (dev_3112)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.490	40.490	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.085	0.040	1.507
Rmeas	0.088	0.042	1.566
Rpim	0.024	0.011	0.421
Number of reflections	32088	316	2087
<I/σ(I)>	21.5
Completeness [%]	99.9	99.1	99.8
Redundancy	13.5	13.3	13.3
CC(1/2)	1.000	0.999	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M Lithium chloride, 0.1 M Tris pH 8.0, 20% (w/v) PEG 6000