5EIX

QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA 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	2012-12-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.97620
Spacegroup name	P 1 21 1
Unit cell lengths	102.070, 161.530, 138.600
Unit cell angles	90.00, 94.22, 90.00

Refinement procedure

Resolution	85.010 - 3.350
R-factor	0.226
Rwork	0.224
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.611
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.120	3.530
High resolution limit [Å]	3.350	3.350
Rmerge	0.089	0.340
Number of reflections	63406
<I/σ(I)>	2.8219	1.95
Completeness [%]	98.5	98.4
Redundancy	2.54	2.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	0.1 M TRIS PH 7.5-8.0, 0-50 MM NACL, 4-8% PEG4000 AND 12-15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K