9OF5

Structure of the Acinetobacter baumannii Response Regulator PmrA Receiver Domain I13M 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	2021-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	39.919, 96.688, 31.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 1.650
R-factor	0.1827
Rwork	0.178
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.081	0.623
Rmeas	0.087	0.678
Rpim	0.032	0.264
Number of reflections	15543	774
<I/σ(I)>	50.966	3.882
Completeness [%]	99.9	100
Redundancy	7.9	6.2
CC(1/2)	1.000	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M MgCl, 0.1 M Tris pH 8.5, 30% PEG 4000