3K9F

Detailed structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	P 32
Unit cell lengths	122.407, 122.407, 178.287
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.731 - 2.900
R-factor	0.1867
Rwork	0.183
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fof
RMSD bond length	0.010
RMSD bond angle	1.403
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.074	0.422
Total number of observations	366508
Number of reflections	64923
<I/σ(I)>	15.2	2.19
Completeness [%]	98.1
Redundancy	5.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	5% isopropanol, optimised mixture of salts, 50mM Na cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K