6J90

Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-11-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	C 2 2 21
Unit cell lengths	87.112, 140.545, 79.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.580 - 2.200
R-factor	0.17661
Rwork	0.174
R-free	0.21666
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ei1
RMSD bond length	0.008
RMSD bond angle	1.533
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.580	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.134	0.800
Rmeas	0.170
Rpim	0.103	0.621
Number of reflections	24907	2130
<I/σ(I)>	8.9	2
Completeness [%]	99.5	99.4
Redundancy	4.76	4.9
CC(1/2)	0.993	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Lithium chloride 0.05M Bis Tris 12% PEG MME