3G13

Crystal structure of putative conjugative transposon recombinase from Clostridium difficile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	64.470, 71.318, 94.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 2.000
R-factor	0.201
Rwork	0.199
R-free	0.23918
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.583
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.459
Number of reflections	29582
<I/σ(I)>	10.1	2.86
Completeness [%]		86.1
Redundancy	11	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M Bis-Tris pH 6.5, 28% PEG monomethylether 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K