4K4O

The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-18
Detector	NOIR-1
Wavelength(s)	0.976200
Spacegroup name	P 21 21 21
Unit cell lengths	54.450, 58.350, 65.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.580 - 1.300
R-factor	0.17911
Rwork	0.178
R-free	0.19614
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gee
RMSD bond length	0.006
RMSD bond angle	1.417
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.580	1.380
High resolution limit [Å]	1.300	1.300
Completeness [%]	99.2	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	25% (W/V) PEG 1500, 3% (V/V) T-BUTANOL, 20% (W/V) GLYCEROL, 20 MM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K