7C7N

Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-05-26
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.333, 67.052, 68.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.490 - 2.300
R-factor	0.20937
Rwork	0.206
R-free	0.27557
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aj6
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.490	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.111	0.278
Number of reflections	8837	861
<I/σ(I)>	9.5
Completeness [%]	99.8
Redundancy	5.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M MES pH6.0, 0.2M Ammonium acetate, 24% PEG4000