5IWI

1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-20
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9340
Spacegroup name	P 61
Unit cell lengths	92.897, 92.897, 410.784
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 1.980
R-factor	0.16625
Rwork	0.166
R-free	0.20169
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2xcs
RMSD bond length	0.008
RMSD bond angle	1.367
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.066	0.830
Number of reflections	137423
<I/σ(I)>	14.2	1.6
Completeness [%]	99.2	97
Redundancy	3.8	3.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	11% PEG 3350, 170mM BisTris pH 6.2