9OF3

Structure of the Acinetobacter baumannii Response Regulator PmrA Receiver Domain D10N 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	2022-07-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03317
Spacegroup name	P 41 21 2
Unit cell lengths	109.742, 109.742, 214.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.840 - 2.670
R-factor	0.2271
Rwork	0.225
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.466
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]	50.000	2.720
High resolution limit [Å]	2.670	2.670
Number of reflections	37963	1787
<I/σ(I)>	22	3.5
Completeness [%]	99.8
Redundancy	10.7
CC(1/2)	0.995	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Sodium citrate tribasic dihydrate pH 5.6, 1.0 M NH4PO4