3NQO

Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 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	2010-03-12
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	69.739, 72.672, 76.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.672 - 2.200
R-factor	0.199
Rwork	0.197
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.314
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.672	29.672	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.059	0.030	0.681
Number of reflections	20101	3780	3579
<I/σ(I)>	12.61	33.7	1.8
Completeness [%]	98.8	97.8	93.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.47	277	47.0000% polyethylene glycol 200, 0.1M HEPES pH 7.47, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K