4KSH

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-11-05
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	54.830, 58.340, 65.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.160 - 1.700
R-factor	0.173
Rwork	0.171
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.321
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	34.160
High resolution limit [Å]	1.700
Number of reflections	23747
Completeness [%]	98.6

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