5J72

Cwp6 from Clostridium difficile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.282
Spacegroup name	P 21 21 2
Unit cell lengths	91.357, 212.916, 84.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 1.700
R-factor	0.1785
Rwork	0.178
R-free	0.20090
Structure solution method	SAD
Starting model (for MR)	Cwp8 CWB2 trimer 1jwq
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.700
Rmerge	0.049	0.710
Number of reflections	180746
<I/σ(I)>	22.9	2
Completeness [%]	99.5	87
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M trisodium citrate
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M trisodium citrate