6FQS

3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 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	PIXEL
Collection date	2015-02-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97600
Spacegroup name	P 61
Unit cell lengths	94.027, 94.027, 420.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.014 - 3.110
R-factor	0.1803
Rwork	0.179
R-free	0.21000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5cdm
RMSD bond length	0.011
RMSD bond angle	1.311
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	3.220
High resolution limit [Å]	3.110	3.110
Rmerge	0.194	1.572
Number of reflections	37639	3666
<I/σ(I)>	9.5	1.5
Completeness [%]	99.9
Redundancy	10.5
CC(1/2)	0.995	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.2	293	8% PEG 5000 MME, 90 mM bis-tris pH 6.2