9NX4

Crystal Structure of a P. Aeruginosa Gyrase Chimera In Complex with 20mer DNA and Ciprofloxacin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 63 2 2
Unit cell lengths	179.033, 179.033, 163.298
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.670 - 2.850
R-factor	0.2065
Rwork	0.205
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.168	1.252
Rmeas	0.174	1.296
Rpim	0.043	0.327
Number of reflections	36343	1785
<I/σ(I)>	3.7	1.29
Completeness [%]	99.2
Redundancy	15.5
CC(1/2)	0.992	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.1M sodium citrate pH 6.0 14% PEG 4000 200mM Ammonium Sulfate 1mM MnCl2 1mM ciprofloxacin