3QI7

Crystal structure of a Putative transcriptional regulator (YP_001089212.1) from Clostridium difficile 630 at 1.86 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	50.886, 102.479, 154.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.622 - 1.860
R-factor	0.1913
Rwork	0.190
R-free	0.22020
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.622	48.620	1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.099	0.050	1.041
Number of reflections	68584	7215	7100
<I/σ(I)>	10.73	27.7	1.65
Completeness [%]	99.8	98.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.96	277	30.00% polyethylene glycol 4000, 0.20M ammonium acetate, 0.1M sodium acetate pH 4.96, Additive: 0.001 M spermine, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K