5J6Q

Cwp8 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	CCD
Collection date	2012-09-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	45.454, 63.432, 86.407
Unit cell angles	97.25, 100.53, 91.96

Refinement procedure

Resolution	42.090 - 2.100
R-factor	0.2291
Rwork	0.229
R-free	0.25500
Structure solution method	SAD
Data reduction software	XDS
Phasing software	SHELXDE
Refinement software	MAIN

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.100	2.174
High resolution limit [Å]	2.100	2.100
Rmerge	0.063	1.030	0.920
Number of reflections	52216
<I/σ(I)>	15.15
Completeness [%]	95.0	69.45
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.04 M Ammonium sulfate 0.17 M Potassium acetate
2	VAPOR DIFFUSION, SITTING DROP		293	2.04 M Ammonium sulfate 0.17 M Potassium acetate 5 mM platinum potassium thiocyanate