2QWW

Crystal structure of multiple antibiotic-resistance repressor (MarR) (YP_013417.1) from Listeria monocytogenes 4b F2365 at 2.07 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97939, 0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	48.250, 159.700, 90.270
Unit cell angles	90.00, 103.26, 90.00

Refinement procedure

Resolution	46.984 - 2.070
R-factor	0.242
Rwork	0.239
R-free	0.29300
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.984	46.984	2.140
High resolution limit [Å]	2.070	3.530	2.070
Rmerge	0.149	0.116	0.571
Number of reflections	79209
<I/σ(I)>	7.65	16.5	2.1
Completeness [%]	93.7	98.1	82.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	NANODROP, 29.545% PEG 4000, 0.2M Ammonium acetate, 0.1M Citric acid pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K