6F8J

Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9790
Spacegroup name	P 32 2 1
Unit cell lengths	99.790, 99.790, 50.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.900 - 1.950
R-factor	0.2002
Rwork	0.199
R-free	0.23160
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6f86
RMSD bond length	0.011
RMSD bond angle	1.518
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.900	49.900	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.203	0.142	1.568
Rmeas	0.214	0.151	1.659
Rpim	0.068	0.051	0.533
Number of reflections	21281	274	1561
<I/σ(I)>	7.2
Completeness [%]	99.9	99.7	99.2
Redundancy	9.9	8.2	9.5
CC(1/2)	0.993	0.988	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25-30% PEG400 and 100 mM Hepes pH 6.5.