9OF8

Structure of the Acinetobacter baumannii Response Regulator PmrA Receiver Domain S119T 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	2022-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03317
Spacegroup name	P 1 21 1
Unit cell lengths	31.329, 38.890, 89.064
Unit cell angles	90.00, 92.73, 90.00

Refinement procedure

Resolution	35.630 - 1.540
R-factor	0.1739
Rwork	0.173
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.219
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (19.192.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.049	0.096
Rmeas	0.053	0.102
Rpim	0.021	0.039
Number of reflections	31194	1570
<I/σ(I)>	50.365	18.25
Completeness [%]	96.9	96.1
Redundancy	6.1	6.3
CC(1/2)	0.993	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2M NaCl, 0.1M BIS-TRIS pH 5.5, 25% PEG 3350