9OF7

Structure of the Acinetobacter baumannii Response Regulator PmrA Receiver Domain G54E Mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03223
Spacegroup name	P 1 21 1
Unit cell lengths	32.340, 110.634, 33.229
Unit cell angles	90.00, 102.92, 90.00

Refinement procedure

Resolution	25.630 - 1.990
R-factor	0.2197
Rwork	0.216
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	2.000
High resolution limit [Å]	1.990	2.000
Rmerge	0.075	0.488
Rmeas	0.083	0.559
Rpim	0.035	0.267
Number of reflections	14885	719
<I/σ(I)>	22.094
Completeness [%]	96.1	91.5
Redundancy	5.5	3.8
CC(1/2)	1.000	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M MgCl2, 0.1 M TRIS-HCl pH 8.5, 30% PEG 4000