6QTK

2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 61
Unit cell lengths	92.730, 92.730, 408.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.990 - 2.310
R-factor	0.16421
Rwork	0.163
R-free	0.20347
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2xcs
RMSD bond length	0.008
RMSD bond angle	1.448
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.350
High resolution limit [Å]	2.310	2.310
Number of reflections	85905
<I/σ(I)>	19.2
Completeness [%]	99.7
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	11% PEG 5000MME, BisTris pH 6.2