5CDO

3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97627
Spacegroup name	P 1 21 1
Unit cell lengths	90.472, 170.211, 124.579
Unit cell angles	90.00, 102.75, 90.00

Refinement procedure

Resolution	58.415 - 3.150
R-factor	0.2163
Rwork	0.215
R-free	0.24650
RMSD bond length	0.005
RMSD bond angle	0.972
Data scaling software	Aimless (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.420	58.420	3.260
High resolution limit [Å]	3.150	12.200	3.150
Rmerge	0.126	0.062	0.414
Rpim	0.087	0.043	0.286
Total number of observations	185026	3154	18472
Number of reflections	62354
<I/σ(I)>	7.7	15.4	2.8
Completeness [%]	98.2	94.9	98.7
Redundancy	3	2.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.2	293	150mM BisTris pH6.2, 11% PEG 5000 MME