6ENG

Crystal structure of the 43K ATPase domain of Escherichia coli gyrase B in complex with an aminocoumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97779
Spacegroup name	P 21 21 21
Unit cell lengths	47.830, 128.070, 159.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.670 - 2.300
R-factor	0.2025
Rwork	0.200
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.670	33.670	2.430
High resolution limit [Å]	2.300	6.830	2.300
Rmerge	0.126	0.038	1.263
Rmeas	0.138	0.042	1.404
Number of reflections	43688	1859	6154
<I/σ(I)>	9.89	33.42	0.98
Completeness [%]	97.3	99.1	86.5
Redundancy	6.258	5.749	5.231
CC(1/2)	0.998	0.999	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	22% PEG 3350, 0.2M NaH2PO4, pH 8.0