4Z53

Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97630
Spacegroup name	P 31 2 1
Unit cell lengths	157.830, 157.830, 210.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.896 - 3.260
R-factor	0.175
Rwork	0.173
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k9f
RMSD bond length	0.003
RMSD bond angle	0.709
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.900	3.090
High resolution limit [Å]	3.010	3.010
Rmerge	0.098	0.990
Number of reflections	60603
<I/σ(I)>	5.9094	0.75
Completeness [%]	100.0	99.92
Redundancy	10.07	10.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	50 mM Na cacodylate, 100-150 mM NaCl, 4-7% isopropanol