4LLL

Crystal structure of S. aureus MepR-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	130.177, 130.177, 124.707
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.610 - 3.036
R-factor	0.1952
Rwork	0.194
R-free	0.23400
Structure solution method	Molecular Replacement/SAD
RMSD bond length	0.009
RMSD bond angle	1.533
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX ((Phaser))
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Rmerge	0.081
Number of reflections	47910
<I/σ(I)>	42.9
Completeness [%]	100.0
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.04M Mg Acetate, 0.05M Na Cacodylate, 30% (+/-)-2-methyl-2,4-pentanediol., pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.04M Mg Acetate, 0.05M Na Cacodylate, 30% (+/-)-2-methyl-2,4-pentanediol., pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K