4KSG

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-08
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	54.680, 58.660, 65.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.760 - 1.750
R-factor	0.178
Rwork	0.176
R-free	0.20900
Structure solution method	4GEE
RMSD bond length	0.007
RMSD bond angle	1.657
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	34.210
High resolution limit [Å]	1.750
Number of reflections	22053
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		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, temperature 293K