6Q2B

Crystal Structure of Putative MarR Family Transcriptional Regulator from Listeria monocytogenes complexed with 26mer DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97883
Spacegroup name	P 61
Unit cell lengths	80.859, 80.859, 200.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 2.720
R-factor	0.2334
Rwork	0.232
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 4MNU
RMSD bond length	0.004
RMSD bond angle	0.556
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.720	2.720
Rmerge	0.101	0.976
Number of reflections	18848	639
<I/σ(I)>	22.8	1.3
Completeness [%]	94.4	63.5
Redundancy	7.1	5.6
CC(1/2)	0.996	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.01 M Magnesium acetate tetrahydrate, 0.05 M MES monohydrate pH 5.6, 2.5 M Ammonium sulfate